N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide

C20H17FN4O — CID 95159954

IUPACN-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide
SMILESN#C[C@H](NC(=O)CCc1ccc(F)cc1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H17FN4O/c21-17-9-6-15(7-10-17)8-11-20(26)24-19(12-22)16-13-23-25(14-16)18-4-2-1-3-5-18/h1-7,9-10,13-14,19H,8,11H2,(H,24,26)/t19-/m0/s1
InChIKeyAUUCMAWDAMQQGT-IBGZPJMESA-N
MW348.38 g/mol
LogP3.33
Rot. Bonds6

About N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide

N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide (PubChem CID 95159954) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide
PubChem CID95159954
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC NameN-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide
SMILESN#C[C@H](NC(=O)CCc1ccc(F)cc1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H17FN4O/c21-17-9-6-15(7-10-17)8-11-20(26)24-19(12-22)16-13-23-25(14-16)18-4-2-1-3-5-18/h1-7,9-10,13-14,19H,8,11H2,(H,24,26)/t19-/m0/s1
InChIKeyAUUCMAWDAMQQGT-IBGZPJMESA-N
XLogP3.33
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-(dimethylamino)acetamide
CID 99857495
N-[cyano-(1-phenylpyrazol-4-yl)methyl]-3-cyclobutylpropanamide
CID 75376755
N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 95237324
N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-ethoxybenzamide
CID 97247015
N'-[2-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
CID 26782133
5-bromo-N-[cyano-(1-phenylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 167972145
N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 97069293
cis-(1S,2R)-N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-nitrocyclopropane-1-carboxamide
CID 124736796
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649
N-[(S)-cyano-(2,4-difluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 95618021
N-[cyano-(2-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide
CID 56571896
N-[(2S)-1-aminopropan-2-yl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 120507987

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide (CID 95159954) is N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide is N#C[C@H](NC(=O)CCc1ccc(F)cc1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is AUUCMAWDAMQQGT-IBGZPJMESA-N. The full InChI is InChI=1S/C20H17FN4O/c21-17-9-6-15(7-10-17)8-11-20(26)24-19(12-22)16-13-23-25(14-16)18-4-2-1-3-5-18/h1-7,9-10,13-14,19H,8,11H2,(H,24,26)/t19-/m0/s1.
What are the key properties of N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide?
N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 348.38 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 95159954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).