4-cyano-N-[2-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]piperidine-1-carboxamide

C16H23N5O — CID 125174594

IUPAC4-cyano-N-[2-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(C#N)CC2)n([C@H](C)C2CC2)n1
InChIInChI=1S/C16H23N5O/c1-11-9-15(21(19-11)12(2)14-3-4-14)18-16(22)20-7-5-13(10-17)6-8-20/h9,12-14H,3-8H2,1-2H3,(H,18,22)/t12-/m1/s1
InChIKeyHBBNYAADQNDTRV-GFCCVEGCSA-N
MW301.39 g/mol
LogP2.93
Rot. Bonds3

About 4-cyano-N-[2-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]piperidine-1-carboxamide

4-cyano-N-[2-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]piperidine-1-carboxamide (PubChem CID 125174594) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-cyano-N-[2-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[2-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]piperidine-1-carboxamide
PubChem CID125174594
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name4-cyano-N-[2-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(C#N)CC2)n([C@H](C)C2CC2)n1
InChIInChI=1S/C16H23N5O/c1-11-9-15(21(19-11)12(2)14-3-4-14)18-16(22)20-7-5-13(10-17)6-8-20/h9,12-14H,3-8H2,1-2H3,(H,18,22)/t12-/m1/s1
InChIKeyHBBNYAADQNDTRV-GFCCVEGCSA-N
XLogP2.93
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 125171218
N-[2-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 97275258
N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 97275257
1-[[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 134700003
1-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 125157498
1-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-3-(3-methylsulfanylpropyl)urea
CID 97273514
N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134702438
4-cyclopentyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide
CID 72899029
N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-4-(1H-pyrrole-2-carbonyl)piperazine-1-carboxamide
CID 72929182
4-cyano-N-methylpiperidine-1-carboxamide
CID 78942309
N-[(1R)-1-(4-bromophenyl)ethyl]-4-cyanopiperidine-1-carboxamide
CID 95154756
4-cyano-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide
CID 48957771

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of 4-cyano-N-[2-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]piperidine-1-carboxamide (CID 125174594) is 4-cyano-N-[2-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-N-[2-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-cyano-N-[2-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]piperidine-1-carboxamide is Cc1cc(NC(=O)N2CCC(C#N)CC2)n([C@H](C)C2CC2)n1.
What is the InChIKey of 4-cyano-N-[2-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]piperidine-1-carboxamide?
The InChIKey is HBBNYAADQNDTRV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N5O/c1-11-9-15(21(19-11)12(2)14-3-4-14)18-16(22)20-7-5-13(10-17)6-8-20/h9,12-14H,3-8H2,1-2H3,(H,18,22)/t12-/m1/s1.
What are the key properties of 4-cyano-N-[2-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]piperidine-1-carboxamide?
4-cyano-N-[2-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]piperidine-1-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 125174594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).