(3S)-3-cyano-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]piperidine-1-carboxamide

C17H18FN5O — CID 126449376

IUPAC(3S)-3-cyano-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]piperidine-1-carboxamide
SMILESN#C[C@H]1CCCN(C(=O)Nc2cnn(Cc3ccccc3F)c2)C1
InChIInChI=1S/C17H18FN5O/c18-16-6-2-1-5-14(16)11-23-12-15(9-20-23)21-17(24)22-7-3-4-13(8-19)10-22/h1-2,5-6,9,12-13H,3-4,7,10-11H2,(H,21,24)/t13-/m1/s1
InChIKeyIXPZIKSSUGCLJX-CYBMUJFWSA-N
MW327.36 g/mol
LogP2.84
Rot. Bonds3

About (3S)-3-cyano-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]piperidine-1-carboxamide

(3S)-3-cyano-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]piperidine-1-carboxamide (PubChem CID 126449376) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is (3S)-3-cyano-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-cyano-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]piperidine-1-carboxamide
PubChem CID126449376
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name(3S)-3-cyano-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]piperidine-1-carboxamide
SMILESN#C[C@H]1CCCN(C(=O)Nc2cnn(Cc3ccccc3F)c2)C1
InChIInChI=1S/C17H18FN5O/c18-16-6-2-1-5-14(16)11-23-12-15(9-20-23)21-17(24)22-7-3-4-13(8-19)10-22/h1-2,5-6,9,12-13H,3-4,7,10-11H2,(H,21,24)/t13-/m1/s1
InChIKeyIXPZIKSSUGCLJX-CYBMUJFWSA-N
XLogP2.84
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19399998
1-[2-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502809
cis-(1S,3R)-3-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95390862
(3R)-1-N-(1-benzylpyrazol-4-yl)-3-N-methylpiperidine-1,3-dicarboxamide
CID 95899241
1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-propan-2-ylthiourea
CID 17378592
N-(3-benzylphenyl)-3-cyanopiperidine-1-carboxamide
CID 72916114
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111566301
(3S)-N-(1-benzylpyrazol-4-yl)-3-hydroxypyrrolidine-1-carboxamide
CID 111521201
3-[(2-chlorophenyl)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 69070499
2-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-ylacetamide
CID 46974742
1-butan-2-yl-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19343281
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75768951

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyano-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-cyano-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]piperidine-1-carboxamide (CID 126449376) is (3S)-3-cyano-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-cyano-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-cyano-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]piperidine-1-carboxamide is N#C[C@H]1CCCN(C(=O)Nc2cnn(Cc3ccccc3F)c2)C1.
What is the InChIKey of (3S)-3-cyano-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]piperidine-1-carboxamide?
The InChIKey is IXPZIKSSUGCLJX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18FN5O/c18-16-6-2-1-5-14(16)11-23-12-15(9-20-23)21-17(24)22-7-3-4-13(8-19)10-22/h1-2,5-6,9,12-13H,3-4,7,10-11H2,(H,21,24)/t13-/m1/s1.
What are the key properties of (3S)-3-cyano-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]piperidine-1-carboxamide?
(3S)-3-cyano-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]piperidine-1-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyano-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 126449376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).