5-amino-3-(3-methylpiperidin-1-yl)-1-phenylpyrazole-4-carbonitrile

C16H19N5 — CID 102795272

IUPAC5-amino-3-(3-methylpiperidin-1-yl)-1-phenylpyrazole-4-carbonitrile
SMILESCC1CCCN(c2nn(-c3ccccc3)c(N)c2C#N)C1
InChIInChI=1S/C16H19N5/c1-12-6-5-9-20(11-12)16-14(10-17)15(18)21(19-16)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9,11,18H2,1H3
InChIKeyJJBXXAOOKAIHBZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.56
Rot. Bonds2

About 5-amino-3-(3-methylpiperidin-1-yl)-1-phenylpyrazole-4-carbonitrile

5-amino-3-(3-methylpiperidin-1-yl)-1-phenylpyrazole-4-carbonitrile (PubChem CID 102795272) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-amino-3-(3-methylpiperidin-1-yl)-1-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(3-methylpiperidin-1-yl)-1-phenylpyrazole-4-carbonitrile
PubChem CID102795272
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name5-amino-3-(3-methylpiperidin-1-yl)-1-phenylpyrazole-4-carbonitrile
SMILESCC1CCCN(c2nn(-c3ccccc3)c(N)c2C#N)C1
InChIInChI=1S/C16H19N5/c1-12-6-5-9-20(11-12)16-14(10-17)15(18)21(19-16)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9,11,18H2,1H3
InChIKeyJJBXXAOOKAIHBZ-UHFFFAOYSA-N
XLogP2.56
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-(4-fluorophenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102795536
5-amino-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102796870
5-amino-3-(3-aminopyrrolidin-1-yl)-1-(4-bromophenyl)pyrazole-4-carbonitrile
CID 102796328
5-amino-1-(2-fluorophenyl)-3-piperidin-1-ylpyrazole-4-carbonitrile
CID 102795510
4-bromo-5-[(3S)-3-methylpiperidin-1-yl]-2-phenylpyridazin-3-one
CID 35140111
1-(5-amino-4-cyano-1-ethylpyrazol-3-yl)piperidine-3-carboxylic acid
CID 102795988
5-amino-3-(4-methylpiperidin-1-yl)-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
CID 102796819
5-amino-1-phenyl-3-(sulfanylmethyl)pyrazole-4-carbonitrile
CID 138811067
5-amino-3-(2-fluorophenyl)-1-phenylpyrazole-4-carbonitrile
CID 22309777
2-(3-methylpiperidin-1-yl)-4-phenylbenzonitrile
CID 171037824
methyl (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetate
CID 6578670
3-(3-methylpiperidin-1-yl)pyridine
CID 139386622

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3-methylpiperidin-1-yl)-1-phenylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(3-methylpiperidin-1-yl)-1-phenylpyrazole-4-carbonitrile (CID 102795272) is 5-amino-3-(3-methylpiperidin-1-yl)-1-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(3-methylpiperidin-1-yl)-1-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(3-methylpiperidin-1-yl)-1-phenylpyrazole-4-carbonitrile is CC1CCCN(c2nn(-c3ccccc3)c(N)c2C#N)C1.
What is the InChIKey of 5-amino-3-(3-methylpiperidin-1-yl)-1-phenylpyrazole-4-carbonitrile?
The InChIKey is JJBXXAOOKAIHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-12-6-5-9-20(11-12)16-14(10-17)15(18)21(19-16)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9,11,18H2,1H3.
What are the key properties of 5-amino-3-(3-methylpiperidin-1-yl)-1-phenylpyrazole-4-carbonitrile?
5-amino-3-(3-methylpiperidin-1-yl)-1-phenylpyrazole-4-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3-methylpiperidin-1-yl)-1-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 102795272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).