N-[cyano-(1-phenylpyrazol-4-yl)methyl]-3-cyclobutylpropanamide

C18H20N4O — CID 75376755

IUPACN-[cyano-(1-phenylpyrazol-4-yl)methyl]-3-cyclobutylpropanamide
SMILESN#CC(NC(=O)CCC1CCC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H20N4O/c19-11-17(21-18(23)10-9-14-5-4-6-14)15-12-20-22(13-15)16-7-2-1-3-8-16/h1-3,7-8,12-14,17H,4-6,9-10H2,(H,21,23)
InChIKeyFWCKVEOKCZRZNP-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.13
Rot. Bonds6

About N-[cyano-(1-phenylpyrazol-4-yl)methyl]-3-cyclobutylpropanamide

N-[cyano-(1-phenylpyrazol-4-yl)methyl]-3-cyclobutylpropanamide (PubChem CID 75376755) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[cyano-(1-phenylpyrazol-4-yl)methyl]-3-cyclobutylpropanamide.

Molecular Properties

Compound NameN-[cyano-(1-phenylpyrazol-4-yl)methyl]-3-cyclobutylpropanamide
PubChem CID75376755
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN-[cyano-(1-phenylpyrazol-4-yl)methyl]-3-cyclobutylpropanamide
SMILESN#CC(NC(=O)CCC1CCC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H20N4O/c19-11-17(21-18(23)10-9-14-5-4-6-14)15-12-20-22(13-15)16-7-2-1-3-8-16/h1-3,7-8,12-14,17H,4-6,9-10H2,(H,21,23)
InChIKeyFWCKVEOKCZRZNP-UHFFFAOYSA-N
XLogP3.13
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.13
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-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide
CID 95159954
cis-(1S,2R)-N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-nitrocyclopropane-1-carboxamide
CID 124736796
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
3-cyclopropyl-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 105107919
3-cyclopentyl-N-methyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486019
N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 97069293
4-(azepan-1-yl)-4-oxo-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 99983340
2-(cyclopropylamino)-2-(1-phenylpyrazol-4-yl)acetic acid
CID 43754555
5-bromo-N-[cyano-(1-phenylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 167972145
2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105151678

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(1-phenylpyrazol-4-yl)methyl]-3-cyclobutylpropanamide?
The IUPAC name of N-[cyano-(1-phenylpyrazol-4-yl)methyl]-3-cyclobutylpropanamide (CID 75376755) is N-[cyano-(1-phenylpyrazol-4-yl)methyl]-3-cyclobutylpropanamide.
What is the SMILES notation for N-[cyano-(1-phenylpyrazol-4-yl)methyl]-3-cyclobutylpropanamide?
The canonical SMILES for N-[cyano-(1-phenylpyrazol-4-yl)methyl]-3-cyclobutylpropanamide is N#CC(NC(=O)CCC1CCC1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[cyano-(1-phenylpyrazol-4-yl)methyl]-3-cyclobutylpropanamide?
The InChIKey is FWCKVEOKCZRZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c19-11-17(21-18(23)10-9-14-5-4-6-14)15-12-20-22(13-15)16-7-2-1-3-8-16/h1-3,7-8,12-14,17H,4-6,9-10H2,(H,21,23).
What are the key properties of N-[cyano-(1-phenylpyrazol-4-yl)methyl]-3-cyclobutylpropanamide?
N-[cyano-(1-phenylpyrazol-4-yl)methyl]-3-cyclobutylpropanamide has a molecular weight of 308.38 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(1-phenylpyrazol-4-yl)methyl]-3-cyclobutylpropanamide is sourced from PubChem (CID 75376755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).