1-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)cyclopropane-1-carboxamide

C15H14N4O — CID 80597871

IUPAC1-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
SMILESCc1cc(NC(=O)C2(C#N)CC2)n(-c2ccccc2)n1
InChIInChI=1S/C15H14N4O/c1-11-9-13(17-14(20)15(10-16)7-8-15)19(18-11)12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3,(H,17,20)
InChIKeyCPUOLLSNJWFPTM-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.42
Rot. Bonds3

About 1-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)cyclopropane-1-carboxamide

1-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 80597871) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
PubChem CID80597871
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
SMILESCc1cc(NC(=O)C2(C#N)CC2)n(-c2ccccc2)n1
InChIInChI=1S/C15H14N4O/c1-11-9-13(17-14(20)15(10-16)7-8-15)19(18-11)12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3,(H,17,20)
InChIKeyCPUOLLSNJWFPTM-UHFFFAOYSA-N
XLogP2.42
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2359886
3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 11791835
diethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium
CID 6932117
2-methoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 12735786
1-(5-methyl-2-phenylpyrazol-3-yl)-3-thiophen-3-ylurea
CID 150914586
1-[(2S)-2-hydroxypropyl]-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 95133488
1-[(2-fluorophenyl)methyl]-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 71084765
3-(1,3-benzodioxol-5-yl)-2-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)prop-2-enamide
CID 4265510
(5-methyl-2-phenylpyrazol-3-yl)hydrazine
CID 55279869
1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 56642816
2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993742
2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 139009806

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)cyclopropane-1-carboxamide (CID 80597871) is 1-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)cyclopropane-1-carboxamide is Cc1cc(NC(=O)C2(C#N)CC2)n(-c2ccccc2)n1.
What is the InChIKey of 1-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is CPUOLLSNJWFPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-11-9-13(17-14(20)15(10-16)7-8-15)19(18-11)12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3,(H,17,20).
What are the key properties of 1-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)cyclopropane-1-carboxamide?
1-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80597871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).