(1-methyl-4-propan-2-ylpyrazol-3-yl)methanamine;2,4,5-triethyl-1,3-thiazole

C17H30N4S — CID 178033949

IUPAC(1-methyl-4-propan-2-ylpyrazol-3-yl)methanamine;2,4,5-triethyl-1,3-thiazole
SMILESCC(C)c1cn(C)nc1CN.CCc1nc(CC)c(CC)s1
InChIInChI=1S/C9H15NS.C8H15N3/c1-4-7-8(5-2)11-9(6-3)10-7;1-6(2)7-5-11(3)10-8(7)4-9/h4-6H2,1-3H3;5-6H,4,9H2,1-3H3
InChIKeyQGWKLPQKFNKMLQ-UHFFFAOYSA-N
MW322.52 g/mol
LogP3.83
Rot. Bonds5

About (1-methyl-4-propan-2-ylpyrazol-3-yl)methanamine;2,4,5-triethyl-1,3-thiazole

(1-methyl-4-propan-2-ylpyrazol-3-yl)methanamine;2,4,5-triethyl-1,3-thiazole (PubChem CID 178033949) has the molecular formula C17H30N4S and a molecular weight of 322.52 g/mol. Its IUPAC name is (1-methyl-4-propan-2-ylpyrazol-3-yl)methanamine;2,4,5-triethyl-1,3-thiazole.

Molecular Properties

Compound Name(1-methyl-4-propan-2-ylpyrazol-3-yl)methanamine;2,4,5-triethyl-1,3-thiazole
PubChem CID178033949
Molecular FormulaC17H30N4S
Molecular Weight322.52 g/mol
Exact Mass322.22
IUPAC Name(1-methyl-4-propan-2-ylpyrazol-3-yl)methanamine;2,4,5-triethyl-1,3-thiazole
SMILESCC(C)c1cn(C)nc1CN.CCc1nc(CC)c(CC)s1
InChIInChI=1S/C9H15NS.C8H15N3/c1-4-7-8(5-2)11-9(6-3)10-7;1-6(2)7-5-11(3)10-8(7)4-9/h4-6H2,1-3H3;5-6H,4,9H2,1-3H3
InChIKeyQGWKLPQKFNKMLQ-UHFFFAOYSA-N
XLogP3.83
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-propan-2-ylpyrazol-3-yl)methanamine;2,4,5-triethyl-1,3-thiazole?
The IUPAC name of (1-methyl-4-propan-2-ylpyrazol-3-yl)methanamine;2,4,5-triethyl-1,3-thiazole (CID 178033949) is (1-methyl-4-propan-2-ylpyrazol-3-yl)methanamine;2,4,5-triethyl-1,3-thiazole.
What is the SMILES notation for (1-methyl-4-propan-2-ylpyrazol-3-yl)methanamine;2,4,5-triethyl-1,3-thiazole?
The canonical SMILES for (1-methyl-4-propan-2-ylpyrazol-3-yl)methanamine;2,4,5-triethyl-1,3-thiazole is CC(C)c1cn(C)nc1CN.CCc1nc(CC)c(CC)s1.
What is the InChIKey of (1-methyl-4-propan-2-ylpyrazol-3-yl)methanamine;2,4,5-triethyl-1,3-thiazole?
The InChIKey is QGWKLPQKFNKMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS.C8H15N3/c1-4-7-8(5-2)11-9(6-3)10-7;1-6(2)7-5-11(3)10-8(7)4-9/h4-6H2,1-3H3;5-6H,4,9H2,1-3H3.
What are the key properties of (1-methyl-4-propan-2-ylpyrazol-3-yl)methanamine;2,4,5-triethyl-1,3-thiazole?
(1-methyl-4-propan-2-ylpyrazol-3-yl)methanamine;2,4,5-triethyl-1,3-thiazole has a molecular weight of 322.52 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-propan-2-ylpyrazol-3-yl)methanamine;2,4,5-triethyl-1,3-thiazole is sourced from PubChem (CID 178033949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).