N-[1-[(3R)-1-(4-cyano-2-fluorophenyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide

C16H16FN5O — CID 129327787

IUPACN-[1-[(3R)-1-(4-cyano-2-fluorophenyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn([C@@H]2CCN(c3ccc(C#N)cc3F)C2)n1
InChIInChI=1S/C16H16FN5O/c1-11(23)19-16-5-7-22(20-16)13-4-6-21(10-13)15-3-2-12(9-18)8-14(15)17/h2-3,5,7-8,13H,4,6,10H2,1H3,(H,19,20,23)/t13-/m1/s1
InChIKeyWJEKQCVDWZCCRZ-CYBMUJFWSA-N
MW313.34 g/mol
LogP2.30
Rot. Bonds3

About N-[1-[(3R)-1-(4-cyano-2-fluorophenyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide

N-[1-[(3R)-1-(4-cyano-2-fluorophenyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide (PubChem CID 129327787) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is N-[1-[(3R)-1-(4-cyano-2-fluorophenyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3R)-1-(4-cyano-2-fluorophenyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
PubChem CID129327787
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC NameN-[1-[(3R)-1-(4-cyano-2-fluorophenyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn([C@@H]2CCN(c3ccc(C#N)cc3F)C2)n1
InChIInChI=1S/C16H16FN5O/c1-11(23)19-16-5-7-22(20-16)13-4-6-21(10-13)15-3-2-12(9-18)8-14(15)17/h2-3,5,7-8,13H,4,6,10H2,1H3,(H,19,20,23)/t13-/m1/s1
InChIKeyWJEKQCVDWZCCRZ-CYBMUJFWSA-N
XLogP2.30
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(4-cyano-2-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 94917986
1-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488680
3-fluoro-4-(4-hydroxy-3-methylpiperidin-1-yl)benzonitrile
CID 114678508
(3R)-1-(4-cyano-2-fluorophenyl)-N-ethyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 129487311
3-fluoro-4-(4-formylpiperidin-1-yl)benzonitrile
CID 62663101
N-[1-[(3R)-1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129325497
4-acetyl-3-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]benzonitrile
CID 133457838
3-fluoro-4-[3-(1-hydroxyethyl)piperidin-1-yl]benzonitrile
CID 133397554
3-fluoro-4-(3-hydroxypiperidin-1-yl)benzonitrile
CID 56828410
N-[1-[(3S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129326453
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-fluorobenzonitrile
CID 78955458
N-[1-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166404673

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R)-1-(4-cyano-2-fluorophenyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[(3R)-1-(4-cyano-2-fluorophenyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide (CID 129327787) is N-[1-[(3R)-1-(4-cyano-2-fluorophenyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[(3R)-1-(4-cyano-2-fluorophenyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[(3R)-1-(4-cyano-2-fluorophenyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccn([C@@H]2CCN(c3ccc(C#N)cc3F)C2)n1.
What is the InChIKey of N-[1-[(3R)-1-(4-cyano-2-fluorophenyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The InChIKey is WJEKQCVDWZCCRZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16FN5O/c1-11(23)19-16-5-7-22(20-16)13-4-6-21(10-13)15-3-2-12(9-18)8-14(15)17/h2-3,5,7-8,13H,4,6,10H2,1H3,(H,19,20,23)/t13-/m1/s1.
What are the key properties of N-[1-[(3R)-1-(4-cyano-2-fluorophenyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
N-[1-[(3R)-1-(4-cyano-2-fluorophenyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide has a molecular weight of 313.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3R)-1-(4-cyano-2-fluorophenyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 129327787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).