1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene

C106H165N17OS4 — CID 163722984

About 1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene

1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene (PubChem CID 163722984) has the molecular formula C106H165N17OS4 and a molecular weight of 1821.87 g/mol. Its IUPAC name is 1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene.

Molecular Properties

• Compound Name: 1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
• PubChem CID: 163722984
• Molecular Formula: C106H165N17OS4
• Molecular Weight: 1821.87 g/mol
• Exact Mass: 1820.23
• IUPAC Name: 1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
• SMILES: CC(C)c1cccn1C.CC(C)c1cccs1.CC(C)c1ccn(C)n1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CC2)c1.CC(C)c1cscn1.CC(C)n1cccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cn1.Cc1ccn(C)c1C(C)C.Cc1cncc(C(C)C)c1.Cc1nc(C(C)C)co1.Cc1ncc(C(C)C)s1
• InChI: InChI=1S/C9H14N2.C9H13N.C9H15N.2C9H13N.C8H13N.2C7H12N2.C7H11NO.C7H11NS.C7H10S.C6H10N2.2C6H9NS/c1-7(2)8-5-10-11(6-8)9-3-4-9;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-8(3)5-6-10(9)4;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;1-7(2)8-5-4-6-9(8)3;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-5(2)7-4-9-6(3)8-7;1-5(2)7-4-8-6(3)9-7;1-6(2)7-4-3-5-8-7;1-6(2)8-5-3-4-7-8;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6/h5-7,9H,3-4H2,1-2H3;4-7H,1-3H3;5-7H,1-4H3;2*4-7H,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;2*4-5H,1-3H3;2*3-6H,1-2H3;2*3-5H,1-2H3
• InChIKey: KTEIHDSMKXSKMR-UHFFFAOYSA-N
• XLogP: 31.12
• TPSA: 184.51 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1821.87
LogP ≤ 5	31.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?

The IUPAC name of 1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene (CID 163722984) is 1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene.

What is the SMILES notation for 1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?

The canonical SMILES for 1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene is CC(C)c1cccn1C.CC(C)c1cccs1.CC(C)c1ccn(C)n1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CC2)c1.CC(C)c1cscn1.CC(C)n1cccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cn1.Cc1ccn(C)c1C(C)C.Cc1cncc(C(C)C)c1.Cc1nc(C(C)C)co1.Cc1ncc(C(C)C)s1.

What is the InChIKey of 1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?

The InChIKey is KTEIHDSMKXSKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C9H13N.C9H15N.2C9H13N.C8H13N.2C7H12N2.C7H11NO.C7H11NS.C7H10S.C6H10N2.2C6H9NS/c1-7(2)8-5-10-11(6-8)9-3-4-9;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-8(3)5-6-10(9)4;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;1-7(2)8-5-4-6-9(8)3;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-5(2)7-4-9-6(3)8-7;1-5(2)7-4-8-6(3)9-7;1-6(2)7-4-3-5-8-7;1-6(2)8-5-3-4-7-8;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6/h5-7,9H,3-4H2,1-2H3;4-7H,1-3H3;5-7H,1-4H3;2*4-7H,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;2*4-5H,1-3H3;2*3-6H,1-2H3;2*3-5H,1-2H3.

What are the key properties of 1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?

1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene has a molecular weight of 1821.87 g/mol, XLogP of 31.12, 15 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene is sourced from PubChem (CID 163722984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).