6-[(4-pyrazol-1-ylphenyl)methylamino]pyridine-3-carbonitrile

C16H13N5 — CID 47053874

IUPAC6-[(4-pyrazol-1-ylphenyl)methylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCc2ccc(-n3cccn3)cc2)nc1
InChIInChI=1S/C16H13N5/c17-10-14-4-7-16(19-12-14)18-11-13-2-5-15(6-3-13)21-9-1-8-20-21/h1-9,12H,11H2,(H,18,19)
InChIKeySYCPHOULMAHVKA-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.75
Rot. Bonds4

About 6-[(4-pyrazol-1-ylphenyl)methylamino]pyridine-3-carbonitrile

6-[(4-pyrazol-1-ylphenyl)methylamino]pyridine-3-carbonitrile (PubChem CID 47053874) has the molecular formula C16H13N5 and a molecular weight of 275.32 g/mol. Its IUPAC name is 6-[(4-pyrazol-1-ylphenyl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(4-pyrazol-1-ylphenyl)methylamino]pyridine-3-carbonitrile
PubChem CID47053874
Molecular FormulaC16H13N5
Molecular Weight275.32 g/mol
Exact Mass275.12
IUPAC Name6-[(4-pyrazol-1-ylphenyl)methylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCc2ccc(-n3cccn3)cc2)nc1
InChIInChI=1S/C16H13N5/c17-10-14-4-7-16(19-12-14)18-11-13-2-5-15(6-3-13)21-9-1-8-20-21/h1-9,12H,11H2,(H,18,19)
InChIKeySYCPHOULMAHVKA-UHFFFAOYSA-N
XLogP2.75
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[4-(difluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 133474689
4-[[(5-cyano-2-pyridinyl)amino]methyl]benzoic acid
CID 24705789
6-[(3-aminophenyl)methylamino]pyridine-3-carbonitrile
CID 55084059
N-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridin-2-amine
CID 167050190
6-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile
CID 82873499
5,6-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine
CID 72884289
4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 43226671
3-methoxy-4-[(4-pyrazol-1-ylphenyl)methoxy]benzonitrile
CID 17499743
4-chloro-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-3-amine
CID 83167286
6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
CID 56815275
N-[(4-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110916115
5-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazine-2-carbonitrile
CID 133290976

Frequently Asked Questions

What is the IUPAC name of 6-[(4-pyrazol-1-ylphenyl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(4-pyrazol-1-ylphenyl)methylamino]pyridine-3-carbonitrile (CID 47053874) is 6-[(4-pyrazol-1-ylphenyl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(4-pyrazol-1-ylphenyl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(4-pyrazol-1-ylphenyl)methylamino]pyridine-3-carbonitrile is N#Cc1ccc(NCc2ccc(-n3cccn3)cc2)nc1.
What is the InChIKey of 6-[(4-pyrazol-1-ylphenyl)methylamino]pyridine-3-carbonitrile?
The InChIKey is SYCPHOULMAHVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c17-10-14-4-7-16(19-12-14)18-11-13-2-5-15(6-3-13)21-9-1-8-20-21/h1-9,12H,11H2,(H,18,19).
What are the key properties of 6-[(4-pyrazol-1-ylphenyl)methylamino]pyridine-3-carbonitrile?
6-[(4-pyrazol-1-ylphenyl)methylamino]pyridine-3-carbonitrile has a molecular weight of 275.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-pyrazol-1-ylphenyl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 47053874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).