3-(2-methylpyrazol-3-yl)-1-phenylpyrazol-4-amine

C13H13N5 — CID 106758594

IUPAC3-(2-methylpyrazol-3-yl)-1-phenylpyrazol-4-amine
SMILESCn1nccc1-c1nn(-c2ccccc2)cc1N
InChIInChI=1S/C13H13N5/c1-17-12(7-8-15-17)13-11(14)9-18(16-13)10-5-3-2-4-6-10/h2-9H,14H2,1H3
InChIKeyKSRPNLRPJHBAHQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.86
Rot. Bonds2

About 3-(2-methylpyrazol-3-yl)-1-phenylpyrazol-4-amine

3-(2-methylpyrazol-3-yl)-1-phenylpyrazol-4-amine (PubChem CID 106758594) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-1-phenylpyrazol-4-amine.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-1-phenylpyrazol-4-amine
PubChem CID106758594
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name3-(2-methylpyrazol-3-yl)-1-phenylpyrazol-4-amine
SMILESCn1nccc1-c1nn(-c2ccccc2)cc1N
InChIInChI=1S/C13H13N5/c1-17-12(7-8-15-17)13-11(14)9-18(16-13)10-5-3-2-4-6-10/h2-9H,14H2,1H3
InChIKeyKSRPNLRPJHBAHQ-UHFFFAOYSA-N
XLogP1.86
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-3-(2-methylpyrazol-3-yl)pyrazol-4-amine
CID 106758581
1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)pyrazol-4-amine
CID 106758585
1-benzyl-3-(2-methylpyrazol-3-yl)pyrazol-4-amine
CID 106758588
3-(4-fluorophenyl)-1-phenylpyrazol-4-amine
CID 2104091
3-(2-methylpyrazol-3-yl)-1-pentan-3-ylpyrazol-4-amine
CID 106758620
1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde
CID 106758345
3-methylsulfanyl-1-phenylpyrazol-4-amine
CID 57193043
3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-amine
CID 17433375
1-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)pyrazol-4-amine
CID 106758609
1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde
CID 106758363
3-(2-methylpyrazol-3-yl)-4-phenyl-1,2,4-triazole
CID 115393303
2-methyl-4-(4-methyl-1-phenylpyrazol-3-yl)triazole
CID 141352931

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-1-phenylpyrazol-4-amine?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-1-phenylpyrazol-4-amine (CID 106758594) is 3-(2-methylpyrazol-3-yl)-1-phenylpyrazol-4-amine.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-1-phenylpyrazol-4-amine?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-1-phenylpyrazol-4-amine is Cn1nccc1-c1nn(-c2ccccc2)cc1N.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-1-phenylpyrazol-4-amine?
The InChIKey is KSRPNLRPJHBAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-17-12(7-8-15-17)13-11(14)9-18(16-13)10-5-3-2-4-6-10/h2-9H,14H2,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-1-phenylpyrazol-4-amine?
3-(2-methylpyrazol-3-yl)-1-phenylpyrazol-4-amine has a molecular weight of 239.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-1-phenylpyrazol-4-amine is sourced from PubChem (CID 106758594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).