2-[3-anilino-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]acetonitrile

C17H15N5 — CID 51037544

IUPAC2-[3-anilino-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]acetonitrile
SMILESCc1cc(-n2nc(Nc3ccccc3)cc2CC#N)ccn1
InChIInChI=1S/C17H15N5/c1-13-11-16(8-10-19-13)22-15(7-9-18)12-17(21-22)20-14-5-3-2-4-6-14/h2-6,8,10-12H,7H2,1H3,(H,20,21)
InChIKeyXZBTXROASFWXKS-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.39
Rot. Bonds4

About 2-[3-anilino-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]acetonitrile

2-[3-anilino-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]acetonitrile (PubChem CID 51037544) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[3-anilino-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-anilino-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]acetonitrile
PubChem CID51037544
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name2-[3-anilino-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]acetonitrile
SMILESCc1cc(-n2nc(Nc3ccccc3)cc2CC#N)ccn1
InChIInChI=1S/C17H15N5/c1-13-11-16(8-10-19-13)22-15(7-9-18)12-17(21-22)20-14-5-3-2-4-6-14/h2-6,8,10-12H,7H2,1H3,(H,20,21)
InChIKeyXZBTXROASFWXKS-UHFFFAOYSA-N
XLogP3.39
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-5-(methoxymethyl)-1-(2-methyl-4-pyridinyl)pyrazol-3-amine
CID 67057547
[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]methanol
CID 51037755
2-[3-[(2-methylpyrimidin-4-yl)amino]phenyl]acetonitrile
CID 143930397
2-[1-(2-methyl-4-pyridinyl)-3-[3-(trifluoromethyl)anilino]pyrazol-5-yl]propanoic acid
CID 174734169
3-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]-N,N-dimethylpropanamide
CID 67057650
2-anilinopyridine-4-carbonitrile
CID 24696970
ethane;2-methyl-N-phenylpyrimidin-4-amine
CID 90727503
2-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]acetonitrile
CID 902162
3-[3-(3-chloro-2-fluoroanilino)-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]propyl 3-[3-(3-chloro-2-fluoroanilino)-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]propanoate
CID 123897985
(2S)-1-[2-(2-methyl-4-pyridinyl)pyrazol-3-yl]butan-2-ol
CID 141290935
N-(2-methyl-4-pyridinyl)quinolin-2-amine
CID 177055797
N-[[1-(3-anilinophenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine
CID 170210907

Frequently Asked Questions

What is the IUPAC name of 2-[3-anilino-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]acetonitrile?
The IUPAC name of 2-[3-anilino-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]acetonitrile (CID 51037544) is 2-[3-anilino-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[3-anilino-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]acetonitrile?
The canonical SMILES for 2-[3-anilino-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]acetonitrile is Cc1cc(-n2nc(Nc3ccccc3)cc2CC#N)ccn1.
What is the InChIKey of 2-[3-anilino-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]acetonitrile?
The InChIKey is XZBTXROASFWXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-13-11-16(8-10-19-13)22-15(7-9-18)12-17(21-22)20-14-5-3-2-4-6-14/h2-6,8,10-12H,7H2,1H3,(H,20,21).
What are the key properties of 2-[3-anilino-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]acetonitrile?
2-[3-anilino-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]acetonitrile has a molecular weight of 289.34 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-anilino-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]acetonitrile is sourced from PubChem (CID 51037544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).