1-[(3-chlorophenyl)methyl]-5-(3-methylimidazol-4-yl)-4H-imidazo[4,5-d]pyrazole

C15H13ClN6 — CID 135876501

IUPAC1-[(3-chlorophenyl)methyl]-5-(3-methylimidazol-4-yl)-4H-imidazo[4,5-d]pyrazole
SMILESCn1cncc1-c1nc2c(cnn2Cc2cccc(Cl)c2)[nH]1
InChIInChI=1S/C15H13ClN6/c1-21-9-17-7-13(21)14-19-12-6-18-22(15(12)20-14)8-10-3-2-4-11(16)5-10/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyZVWVCMVWJDZYJK-UHFFFAOYSA-N
MW312.76 g/mol
LogP2.86
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-5-(3-methylimidazol-4-yl)-4H-imidazo[4,5-d]pyrazole

1-[(3-chlorophenyl)methyl]-5-(3-methylimidazol-4-yl)-4H-imidazo[4,5-d]pyrazole (PubChem CID 135876501) has the molecular formula C15H13ClN6 and a molecular weight of 312.76 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-5-(3-methylimidazol-4-yl)-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-5-(3-methylimidazol-4-yl)-4H-imidazo[4,5-d]pyrazole
PubChem CID135876501
Molecular FormulaC15H13ClN6
Molecular Weight312.76 g/mol
Exact Mass312.09
IUPAC Name1-[(3-chlorophenyl)methyl]-5-(3-methylimidazol-4-yl)-4H-imidazo[4,5-d]pyrazole
SMILESCn1cncc1-c1nc2c(cnn2Cc2cccc(Cl)c2)[nH]1
InChIInChI=1S/C15H13ClN6/c1-21-9-17-7-13(21)14-19-12-6-18-22(15(12)20-14)8-10-3-2-4-11(16)5-10/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyZVWVCMVWJDZYJK-UHFFFAOYSA-N
XLogP2.86
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-(3-methylimidazol-4-yl)-1-[(3-methylphenyl)methyl]-4H-imidazo[4,5-d]pyrazole
CID 135900893
5-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)-4H-imidazo[4,5-d]pyrazole
CID 135892959
1-(pyridin-3-ylmethyl)-5-(4-pyridin-2-ylphenyl)-4H-imidazo[4,5-d]pyrazole
CID 135988287
6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole
CID 103511214
5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole
CID 103511219
1-[(3-chlorophenyl)methyl]-6-fluoroindazole
CID 141202076
N-(3-chlorophenyl)-4-(3-methylimidazol-4-yl)pyrimidin-2-amine
CID 22273498
[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanol
CID 82203683
4-bromo-1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazole
CID 62128432
4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine
CID 135876509
[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 82203684
4-chloro-1-[(3-methoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-6-amine
CID 22015510

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-5-(3-methylimidazol-4-yl)-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-5-(3-methylimidazol-4-yl)-4H-imidazo[4,5-d]pyrazole (CID 135876501) is 1-[(3-chlorophenyl)methyl]-5-(3-methylimidazol-4-yl)-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-5-(3-methylimidazol-4-yl)-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-5-(3-methylimidazol-4-yl)-4H-imidazo[4,5-d]pyrazole is Cn1cncc1-c1nc2c(cnn2Cc2cccc(Cl)c2)[nH]1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-5-(3-methylimidazol-4-yl)-4H-imidazo[4,5-d]pyrazole?
The InChIKey is ZVWVCMVWJDZYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6/c1-21-9-17-7-13(21)14-19-12-6-18-22(15(12)20-14)8-10-3-2-4-11(16)5-10/h2-7,9H,8H2,1H3,(H,19,20).
What are the key properties of 1-[(3-chlorophenyl)methyl]-5-(3-methylimidazol-4-yl)-4H-imidazo[4,5-d]pyrazole?
1-[(3-chlorophenyl)methyl]-5-(3-methylimidazol-4-yl)-4H-imidazo[4,5-d]pyrazole has a molecular weight of 312.76 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-5-(3-methylimidazol-4-yl)-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135876501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).