1,3-dimethyl-4-[[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]methyl]pyrazole

C15H20N6 — CID 56867218

IUPAC1,3-dimethyl-4-[[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]methyl]pyrazole
SMILESCc1nn(C)cc1Cn1ccnc1-c1nccn1C(C)C
InChIInChI=1S/C15H20N6/c1-11(2)21-8-6-17-15(21)14-16-5-7-20(14)10-13-9-19(4)18-12(13)3/h5-9,11H,10H2,1-4H3
InChIKeySEGDPXXVQRSOAK-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.42
Rot. Bonds4

About 1,3-dimethyl-4-[[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]methyl]pyrazole

1,3-dimethyl-4-[[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]methyl]pyrazole (PubChem CID 56867218) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 1,3-dimethyl-4-[[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]methyl]pyrazole.

Molecular Properties

Compound Name1,3-dimethyl-4-[[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]methyl]pyrazole
PubChem CID56867218
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name1,3-dimethyl-4-[[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]methyl]pyrazole
SMILESCc1nn(C)cc1Cn1ccnc1-c1nccn1C(C)C
InChIInChI=1S/C15H20N6/c1-11(2)21-8-6-17-15(21)14-16-5-7-20(14)10-13-9-19(4)18-12(13)3/h5-9,11H,10H2,1-4H3
InChIKeySEGDPXXVQRSOAK-UHFFFAOYSA-N
XLogP2.42
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]methyl]pyrazole?
The IUPAC name of 1,3-dimethyl-4-[[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]methyl]pyrazole (CID 56867218) is 1,3-dimethyl-4-[[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]methyl]pyrazole.
What is the SMILES notation for 1,3-dimethyl-4-[[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]methyl]pyrazole?
The canonical SMILES for 1,3-dimethyl-4-[[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]methyl]pyrazole is Cc1nn(C)cc1Cn1ccnc1-c1nccn1C(C)C.
What is the InChIKey of 1,3-dimethyl-4-[[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]methyl]pyrazole?
The InChIKey is SEGDPXXVQRSOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-11(2)21-8-6-17-15(21)14-16-5-7-20(14)10-13-9-19(4)18-12(13)3/h5-9,11H,10H2,1-4H3.
What are the key properties of 1,3-dimethyl-4-[[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]methyl]pyrazole?
1,3-dimethyl-4-[[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]methyl]pyrazole has a molecular weight of 284.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]methyl]pyrazole is sourced from PubChem (CID 56867218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).