4-(1-benzylpyrazol-4-yl)imidazole-1,5-diamine

C13H14N6 — CID 131010627

IUPAC4-(1-benzylpyrazol-4-yl)imidazole-1,5-diamine
SMILESNc1c(-c2cnn(Cc3ccccc3)c2)ncn1N
InChIInChI=1S/C13H14N6/c14-13-12(16-9-19(13)15)11-6-17-18(8-11)7-10-4-2-1-3-5-10/h1-6,8-9H,7,14-15H2
InChIKeyWZGMIHKOTYWXAK-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.09
Rot. Bonds3

About 4-(1-benzylpyrazol-4-yl)imidazole-1,5-diamine

4-(1-benzylpyrazol-4-yl)imidazole-1,5-diamine (PubChem CID 131010627) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-(1-benzylpyrazol-4-yl)imidazole-1,5-diamine.

Molecular Properties

Compound Name4-(1-benzylpyrazol-4-yl)imidazole-1,5-diamine
PubChem CID131010627
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name4-(1-benzylpyrazol-4-yl)imidazole-1,5-diamine
SMILESNc1c(-c2cnn(Cc3ccccc3)c2)ncn1N
InChIInChI=1S/C13H14N6/c14-13-12(16-9-19(13)15)11-6-17-18(8-11)7-10-4-2-1-3-5-10/h1-6,8-9H,7,14-15H2
InChIKeyWZGMIHKOTYWXAK-UHFFFAOYSA-N
XLogP1.09
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 63338467
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1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole
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3-(1-benzylpyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 123589966
3-(1-benzylpyrazol-4-yl)-5-chloro-1,2-oxazole
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2-(1-benzylpyrazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine
CID 130861609
6-(1-benzylpyrazol-4-yl)-1,3-benzothiazol-2-amine
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2-[2-[2-(1-benzylpyrazol-4-yl)phenyl]-1-pyridin-2-ylethyl]pyridine
CID 91064991
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
4-[(4-phenylpyrazol-1-yl)methyl]benzenecarbothioamide
CID 62770269
N-methyl-1-[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine
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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpyrazol-4-yl)imidazole-1,5-diamine?
The IUPAC name of 4-(1-benzylpyrazol-4-yl)imidazole-1,5-diamine (CID 131010627) is 4-(1-benzylpyrazol-4-yl)imidazole-1,5-diamine.
What is the SMILES notation for 4-(1-benzylpyrazol-4-yl)imidazole-1,5-diamine?
The canonical SMILES for 4-(1-benzylpyrazol-4-yl)imidazole-1,5-diamine is Nc1c(-c2cnn(Cc3ccccc3)c2)ncn1N.
What is the InChIKey of 4-(1-benzylpyrazol-4-yl)imidazole-1,5-diamine?
The InChIKey is WZGMIHKOTYWXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c14-13-12(16-9-19(13)15)11-6-17-18(8-11)7-10-4-2-1-3-5-10/h1-6,8-9H,7,14-15H2.
What are the key properties of 4-(1-benzylpyrazol-4-yl)imidazole-1,5-diamine?
4-(1-benzylpyrazol-4-yl)imidazole-1,5-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpyrazol-4-yl)imidazole-1,5-diamine is sourced from PubChem (CID 131010627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).