N-(4-cyano-1H-pyrazol-5-yl)-1-phenylcyclobutane-1-carboxamide

C15H14N4O — CID 110473537

IUPACN-(4-cyano-1H-pyrazol-5-yl)-1-phenylcyclobutane-1-carboxamide
SMILESN#Cc1cn[nH]c1NC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C15H14N4O/c16-9-11-10-17-19-13(11)18-14(20)15(7-4-8-15)12-5-2-1-3-6-12/h1-3,5-6,10H,4,7-8H2,(H2,17,18,19,20)
InChIKeyVHSOCJKJMLSMCM-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.34
Rot. Bonds3

About N-(4-cyano-1H-pyrazol-5-yl)-1-phenylcyclobutane-1-carboxamide

N-(4-cyano-1H-pyrazol-5-yl)-1-phenylcyclobutane-1-carboxamide (PubChem CID 110473537) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-1-phenylcyclobutane-1-carboxamide
PubChem CID110473537
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-1-phenylcyclobutane-1-carboxamide
SMILESN#Cc1cn[nH]c1NC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C15H14N4O/c16-9-11-10-17-19-13(11)18-14(20)15(7-4-8-15)12-5-2-1-3-6-12/h1-3,5-6,10H,4,7-8H2,(H2,17,18,19,20)
InChIKeyVHSOCJKJMLSMCM-UHFFFAOYSA-N
XLogP2.34
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethyl-1H-pyrazol-5-yl)-1-phenylcyclobutane-1-carboxamide
CID 104620265
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CID 134044735
N-(5-cyano-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 62880545
1-phenyl-N-pyridin-3-ylcyclobutane-1-carboxamide
CID 31809591
N-(4-amino-2-cyanophenyl)-1-phenylcyclopropane-1-carboxamide
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N-(2-cyano-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide
CID 82683758
N-(2,6-difluorophenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438554
N-(5-methyl-1H-imidazol-2-yl)-1-phenylcyclopentane-1-carboxamide
CID 138045929
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylcyclopentane-1-carboxamide
CID 43546852
N-(4-cyano-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide
CID 79503473
N-(4-cyano-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide
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N-(2-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
CID 2877363

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-1-phenylcyclobutane-1-carboxamide (CID 110473537) is N-(4-cyano-1H-pyrazol-5-yl)-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-1-phenylcyclobutane-1-carboxamide is N#Cc1cn[nH]c1NC(=O)C1(c2ccccc2)CCC1.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-1-phenylcyclobutane-1-carboxamide?
The InChIKey is VHSOCJKJMLSMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-9-11-10-17-19-13(11)18-14(20)15(7-4-8-15)12-5-2-1-3-6-12/h1-3,5-6,10H,4,7-8H2,(H2,17,18,19,20).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-1-phenylcyclobutane-1-carboxamide?
N-(4-cyano-1H-pyrazol-5-yl)-1-phenylcyclobutane-1-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 110473537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).