1-phenyl-N-(pyridin-2-ylmethyl)pyrazol-4-amine

C15H14N4 — CID 82539438

IUPAC1-phenyl-N-(pyridin-2-ylmethyl)pyrazol-4-amine
SMILESc1ccc(-n2cc(NCc3ccccn3)cn2)cc1
InChIInChI=1S/C15H14N4/c1-2-7-15(8-3-1)19-12-14(11-18-19)17-10-13-6-4-5-9-16-13/h1-9,11-12,17H,10H2
InChIKeyOBAHAVHRIWYCJL-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.88
Rot. Bonds4

About 1-phenyl-N-(pyridin-2-ylmethyl)pyrazol-4-amine

1-phenyl-N-(pyridin-2-ylmethyl)pyrazol-4-amine (PubChem CID 82539438) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-phenyl-N-(pyridin-2-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-phenyl-N-(pyridin-2-ylmethyl)pyrazol-4-amine
PubChem CID82539438
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name1-phenyl-N-(pyridin-2-ylmethyl)pyrazol-4-amine
SMILESc1ccc(-n2cc(NCc3ccccn3)cn2)cc1
InChIInChI=1S/C15H14N4/c1-2-7-15(8-3-1)19-12-14(11-18-19)17-10-13-6-4-5-9-16-13/h1-9,11-12,17H,10H2
InChIKeyOBAHAVHRIWYCJL-UHFFFAOYSA-N
XLogP2.88
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-(2-phenylethyl)pyrazol-4-amine
CID 82539254
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-phenylpyrazol-4-amine
CID 75438719
4-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)aniline
CID 101246794
N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-2-ylethanesulfonamide
CID 75493390
N-[2-[(1-phenylpyrazol-4-yl)amino]ethyl]acetamide
CID 82539547
2-methyl-2-[(1-phenylpyrazol-4-yl)amino]propan-1-ol
CID 82538414
N-(1-phenylpyrazol-4-yl)quinolin-8-amine
CID 82536218
2-N,4-N-diphenyl-6-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 67212949
N-(pyridin-2-ylmethyl)-1H-pyrrol-3-amine
CID 69193453
3-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine
CID 112951853
2-[(1-phenylpyrazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111039426
4-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)aniline
CID 112719833

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(pyridin-2-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-phenyl-N-(pyridin-2-ylmethyl)pyrazol-4-amine (CID 82539438) is 1-phenyl-N-(pyridin-2-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-phenyl-N-(pyridin-2-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-phenyl-N-(pyridin-2-ylmethyl)pyrazol-4-amine is c1ccc(-n2cc(NCc3ccccn3)cn2)cc1.
What is the InChIKey of 1-phenyl-N-(pyridin-2-ylmethyl)pyrazol-4-amine?
The InChIKey is OBAHAVHRIWYCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-2-7-15(8-3-1)19-12-14(11-18-19)17-10-13-6-4-5-9-16-13/h1-9,11-12,17H,10H2.
What are the key properties of 1-phenyl-N-(pyridin-2-ylmethyl)pyrazol-4-amine?
1-phenyl-N-(pyridin-2-ylmethyl)pyrazol-4-amine has a molecular weight of 250.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(pyridin-2-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 82539438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).