(3R)-1-cyano-3-fluoro-N-(1-phenylpyrazol-4-yl)pyrrolidine-3-carboxamide

C15H14FN5O — CID 129301849

IUPAC(3R)-1-cyano-3-fluoro-N-(1-phenylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESN#CN1CC[C@](F)(C(=O)Nc2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C15H14FN5O/c16-15(6-7-20(10-15)11-17)14(22)19-12-8-18-21(9-12)13-4-2-1-3-5-13/h1-5,8-9H,6-7,10H2,(H,19,22)/t15-/m1/s1
InChIKeyIKUKFPCTXAIFDT-OAHLLOKOSA-N
MW299.31 g/mol
LogP1.71
Rot. Bonds3

About (3R)-1-cyano-3-fluoro-N-(1-phenylpyrazol-4-yl)pyrrolidine-3-carboxamide

(3R)-1-cyano-3-fluoro-N-(1-phenylpyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 129301849) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is (3R)-1-cyano-3-fluoro-N-(1-phenylpyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyano-3-fluoro-N-(1-phenylpyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID129301849
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name(3R)-1-cyano-3-fluoro-N-(1-phenylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESN#CN1CC[C@](F)(C(=O)Nc2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C15H14FN5O/c16-15(6-7-20(10-15)11-17)14(22)19-12-8-18-21(9-12)13-4-2-1-3-5-13/h1-5,8-9H,6-7,10H2,(H,19,22)/t15-/m1/s1
InChIKeyIKUKFPCTXAIFDT-OAHLLOKOSA-N
XLogP1.71
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

1-cyano-3-fluoro-N-(1-phenylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 129285325
(3R)-N-(1-benzylpyrazol-4-yl)-1-cyano-3-fluoropyrrolidine-3-carboxamide
CID 129285211
1-cyano-3-fluoro-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 129285272
4-methoxy-N-(1-phenylpyrazol-4-yl)piperidine-4-carboxamide;hydrochloride
CID 119753029
1-(4-cyanophenyl)-3-(1-phenylpyrazol-4-yl)urea
CID 47081496
2-(1-hydroxycyclopentyl)-N-(1-phenylpyrazol-4-yl)acetamide
CID 111432531
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
2,6-difluoro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzamide
CID 17088872
N-(1-cyanocyclohexyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide
CID 86802633
1-fluoro-N-phenylcyclopropane-1-carboxamide
CID 170914538
N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
CID 110470884
N-(1-pyridin-4-ylpyrazol-4-yl)benzamide
CID 110471191

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyano-3-fluoro-N-(1-phenylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cyano-3-fluoro-N-(1-phenylpyrazol-4-yl)pyrrolidine-3-carboxamide (CID 129301849) is (3R)-1-cyano-3-fluoro-N-(1-phenylpyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyano-3-fluoro-N-(1-phenylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyano-3-fluoro-N-(1-phenylpyrazol-4-yl)pyrrolidine-3-carboxamide is N#CN1CC[C@](F)(C(=O)Nc2cnn(-c3ccccc3)c2)C1.
What is the InChIKey of (3R)-1-cyano-3-fluoro-N-(1-phenylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is IKUKFPCTXAIFDT-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H14FN5O/c16-15(6-7-20(10-15)11-17)14(22)19-12-8-18-21(9-12)13-4-2-1-3-5-13/h1-5,8-9H,6-7,10H2,(H,19,22)/t15-/m1/s1.
What are the key properties of (3R)-1-cyano-3-fluoro-N-(1-phenylpyrazol-4-yl)pyrrolidine-3-carboxamide?
(3R)-1-cyano-3-fluoro-N-(1-phenylpyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 299.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyano-3-fluoro-N-(1-phenylpyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 129301849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).