2-[(3-phenylpyrazol-1-yl)methyl]pyridin-3-amine

C15H14N4 — CID 137461204

IUPAC2-[(3-phenylpyrazol-1-yl)methyl]pyridin-3-amine
SMILESNc1cccnc1Cn1ccc(-c2ccccc2)n1
InChIInChI=1S/C15H14N4/c16-13-7-4-9-17-15(13)11-19-10-8-14(18-19)12-5-2-1-3-6-12/h1-10H,11,16H2
InChIKeyILKYDQFDCBDALQ-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.58
Rot. Bonds3

About 2-[(3-phenylpyrazol-1-yl)methyl]pyridin-3-amine

2-[(3-phenylpyrazol-1-yl)methyl]pyridin-3-amine (PubChem CID 137461204) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-[(3-phenylpyrazol-1-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(3-phenylpyrazol-1-yl)methyl]pyridin-3-amine
PubChem CID137461204
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name2-[(3-phenylpyrazol-1-yl)methyl]pyridin-3-amine
SMILESNc1cccnc1Cn1ccc(-c2ccccc2)n1
InChIInChI=1S/C15H14N4/c16-13-7-4-9-17-15(13)11-19-10-8-14(18-19)12-5-2-1-3-6-12/h1-10H,11,16H2
InChIKeyILKYDQFDCBDALQ-UHFFFAOYSA-N
XLogP2.58
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-phenylpyrazol-1-yl)methyl]pyridine
CID 118497014
4-[(3-phenylpyrazol-1-yl)methyl]phenol
CID 59752932
3-(1-benzylpyrazol-3-yl)pyridine
CID 99964671
3-methoxy-6-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyridazine
CID 30897324
3-(3-phenylpyrazol-1-yl)propan-1-amine
CID 57225194
2-(1-benzylpyrazol-3-yl)pyridine
CID 71374413
5-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridin-2-amine
CID 168965374
3-phenyl-1-[2-[2-(3-phenylpyrazol-1-yl)ethoxy]ethyl]pyrazole
CID 11684541
2-methoxy-3-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrazine
CID 29151786
1-(2-methylsulfonylethyl)-3-phenylpyrazole
CID 66015946
3-(3-phenylpyrazol-1-yl)propanamide
CID 19835817
[(2S)-1-(3-phenylpyrazol-1-yl)propan-2-yl]azanium
CID 144959097

Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenylpyrazol-1-yl)methyl]pyridin-3-amine?
The IUPAC name of 2-[(3-phenylpyrazol-1-yl)methyl]pyridin-3-amine (CID 137461204) is 2-[(3-phenylpyrazol-1-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-[(3-phenylpyrazol-1-yl)methyl]pyridin-3-amine?
The canonical SMILES for 2-[(3-phenylpyrazol-1-yl)methyl]pyridin-3-amine is Nc1cccnc1Cn1ccc(-c2ccccc2)n1.
What is the InChIKey of 2-[(3-phenylpyrazol-1-yl)methyl]pyridin-3-amine?
The InChIKey is ILKYDQFDCBDALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-13-7-4-9-17-15(13)11-19-10-8-14(18-19)12-5-2-1-3-6-12/h1-10H,11,16H2.
What are the key properties of 2-[(3-phenylpyrazol-1-yl)methyl]pyridin-3-amine?
2-[(3-phenylpyrazol-1-yl)methyl]pyridin-3-amine has a molecular weight of 250.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenylpyrazol-1-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 137461204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).