1-benzyl-3-(2-methylpyrazol-3-yl)pyrazol-4-amine

C14H15N5 — CID 106758588

IUPAC1-benzyl-3-(2-methylpyrazol-3-yl)pyrazol-4-amine
SMILESCn1nccc1-c1nn(Cc2ccccc2)cc1N
InChIInChI=1S/C14H15N5/c1-18-13(7-8-16-18)14-12(15)10-19(17-14)9-11-5-3-2-4-6-11/h2-8,10H,9,15H2,1H3
InChIKeyCKQUYOIIQUVHIH-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.91
Rot. Bonds3

About 1-benzyl-3-(2-methylpyrazol-3-yl)pyrazol-4-amine

1-benzyl-3-(2-methylpyrazol-3-yl)pyrazol-4-amine (PubChem CID 106758588) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-benzyl-3-(2-methylpyrazol-3-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-benzyl-3-(2-methylpyrazol-3-yl)pyrazol-4-amine
PubChem CID106758588
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name1-benzyl-3-(2-methylpyrazol-3-yl)pyrazol-4-amine
SMILESCn1nccc1-c1nn(Cc2ccccc2)cc1N
InChIInChI=1S/C14H15N5/c1-18-13(7-8-16-18)14-12(15)10-19(17-14)9-11-5-3-2-4-6-11/h2-8,10H,9,15H2,1H3
InChIKeyCKQUYOIIQUVHIH-UHFFFAOYSA-N
XLogP1.91
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)pyrazol-4-amine
CID 106758609
3-(2-methylpyrazol-3-yl)-1-phenylpyrazol-4-amine
CID 106758594
1-benzyl-3-pyridin-2-ylpyrazol-4-amine
CID 83216358
1-[(3-chlorophenyl)methyl]-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde
CID 106758508
1-benzyl-3-(2,4-dimethylphenyl)pyrazol-4-amine
CID 83203407
3-(2-methylpyrazol-3-yl)-1-pentan-3-ylpyrazol-4-amine
CID 106758620
1-(4-methylphenyl)-3-(2-methylpyrazol-3-yl)pyrazol-4-amine
CID 106758581
1-[(2-methylphenyl)methyl]-3-phenylpyrazol-4-amine
CID 83222256
3-(furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 83223400
1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)pyrazol-4-amine
CID 106758585
1-[(3-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazol-4-amine
CID 83222787
3-(2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 83204094

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-methylpyrazol-3-yl)pyrazol-4-amine?
The IUPAC name of 1-benzyl-3-(2-methylpyrazol-3-yl)pyrazol-4-amine (CID 106758588) is 1-benzyl-3-(2-methylpyrazol-3-yl)pyrazol-4-amine.
What is the SMILES notation for 1-benzyl-3-(2-methylpyrazol-3-yl)pyrazol-4-amine?
The canonical SMILES for 1-benzyl-3-(2-methylpyrazol-3-yl)pyrazol-4-amine is Cn1nccc1-c1nn(Cc2ccccc2)cc1N.
What is the InChIKey of 1-benzyl-3-(2-methylpyrazol-3-yl)pyrazol-4-amine?
The InChIKey is CKQUYOIIQUVHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-18-13(7-8-16-18)14-12(15)10-19(17-14)9-11-5-3-2-4-6-11/h2-8,10H,9,15H2,1H3.
What are the key properties of 1-benzyl-3-(2-methylpyrazol-3-yl)pyrazol-4-amine?
1-benzyl-3-(2-methylpyrazol-3-yl)pyrazol-4-amine has a molecular weight of 253.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-methylpyrazol-3-yl)pyrazol-4-amine is sourced from PubChem (CID 106758588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).