N-[5-[(3S)-1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide

C17H18FN5O — CID 97343926

IUPACN-[5-[(3S)-1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
SMILESCC(=O)Nc1cn[nH]c1[C@H]1CCCN(c2cccc(F)c2C#N)C1
InChIInChI=1S/C17H18FN5O/c1-11(24)21-15-9-20-22-17(15)12-4-3-7-23(10-12)16-6-2-5-14(18)13(16)8-19/h2,5-6,9,12H,3-4,7,10H2,1H3,(H,20,22)(H,21,24)/t12-/m0/s1
InChIKeyPXJUULOQYBODFF-LBPRGKRZSA-N
MW327.36 g/mol
LogP2.76
Rot. Bonds3

About N-[5-[(3S)-1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide

N-[5-[(3S)-1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide (PubChem CID 97343926) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[5-[(3S)-1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(3S)-1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
PubChem CID97343926
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC NameN-[5-[(3S)-1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
SMILESCC(=O)Nc1cn[nH]c1[C@H]1CCCN(c2cccc(F)c2C#N)C1
InChIInChI=1S/C17H18FN5O/c1-11(24)21-15-9-20-22-17(15)12-4-3-7-23(10-12)16-6-2-5-14(18)13(16)8-19/h2,5-6,9,12H,3-4,7,10H2,1H3,(H,20,22)(H,21,24)/t12-/m0/s1
InChIKeyPXJUULOQYBODFF-LBPRGKRZSA-N
XLogP2.76
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-methoxyacetamide
CID 75474239
N-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 75474205
2-[4-(1-acetylpiperidin-4-yl)azepan-1-yl]-6-fluorobenzonitrile
CID 154786225
N-[5-[(3R)-1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343961
2-fluoro-6-[3-(morpholine-4-carbonyl)piperidin-1-yl]benzonitrile
CID 47018174
2-fluoro-6-[3-(1-hydroxyethyl)piperidin-1-yl]benzonitrile
CID 133397854
N-[5-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 75473787
(3S)-3-(4-acetamido-1H-pyrazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
CID 97343503
N-[5-[1-(6-methoxypyridine-3-carbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 146088376
N-[5-[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343244
2-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-1-yl]-6-fluorobenzonitrile
CID 137247998
N-[5-[1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 75473815

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3S)-1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
The IUPAC name of N-[5-[(3S)-1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide (CID 97343926) is N-[5-[(3S)-1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[5-[(3S)-1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for N-[5-[(3S)-1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide is CC(=O)Nc1cn[nH]c1[C@H]1CCCN(c2cccc(F)c2C#N)C1.
What is the InChIKey of N-[5-[(3S)-1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
The InChIKey is PXJUULOQYBODFF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-11(24)21-15-9-20-22-17(15)12-4-3-7-23(10-12)16-6-2-5-14(18)13(16)8-19/h2,5-6,9,12H,3-4,7,10H2,1H3,(H,20,22)(H,21,24)/t12-/m0/s1.
What are the key properties of N-[5-[(3S)-1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
N-[5-[(3S)-1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide has a molecular weight of 327.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3S)-1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 97343926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).