N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylcyclopentane-1-carboxamide

C17H21N3O — CID 43546852

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylcyclopentane-1-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C17H21N3O/c1-12-15(13(2)20-19-12)18-16(21)17(10-6-7-11-17)14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyQMVQUCKHPXUDHT-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.48
Rot. Bonds3

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylcyclopentane-1-carboxamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylcyclopentane-1-carboxamide (PubChem CID 43546852) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylcyclopentane-1-carboxamide
PubChem CID43546852
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylcyclopentane-1-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C17H21N3O/c1-12-15(13(2)20-19-12)18-16(21)17(10-6-7-11-17)14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyQMVQUCKHPXUDHT-UHFFFAOYSA-N
XLogP3.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 43546753
N-(2-chloro-6-methylphenyl)-1-phenylcyclopentane-1-carboxamide
CID 4060747
N-(5-methyl-1H-imidazol-2-yl)-1-phenylcyclopentane-1-carboxamide
CID 138045929
N-(5-bromo-6-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide
CID 25247161
N-(2,6-difluorophenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438554
N-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide
CID 4653745
N-(4-ethyl-1H-pyrazol-5-yl)-1-phenylcyclobutane-1-carboxamide
CID 104620265
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 32620190
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-phenylspiro[2.4]heptane-2-carboxamide
CID 86286558
ethane;N-(5-methyl-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 91229001
N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide
CID 110439493

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylcyclopentane-1-carboxamide (CID 43546852) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylcyclopentane-1-carboxamide is Cc1n[nH]c(C)c1NC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylcyclopentane-1-carboxamide?
The InChIKey is QMVQUCKHPXUDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-15(13(2)20-19-12)18-16(21)17(10-6-7-11-17)14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylcyclopentane-1-carboxamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylcyclopentane-1-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 43546852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).