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

C15H16ClN3O — CID 43546753

IUPAC1-(4-chlorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H16ClN3O/c1-9-13(10(2)19-18-9)17-14(20)15(7-8-15)11-3-5-12(16)6-4-11/h3-6H,7-8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyOFRPFKAMYWXUPI-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.35
Rot. Bonds3

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

1-(4-chlorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 43546753) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID43546753
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name1-(4-chlorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H16ClN3O/c1-9-13(10(2)19-18-9)17-14(20)15(7-8-15)11-3-5-12(16)6-4-11/h3-6H,7-8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyOFRPFKAMYWXUPI-UHFFFAOYSA-N
XLogP3.35
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylcyclopentane-1-carboxamide
CID 43546852
N-(4-chloro-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 7914599
3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64526668
1-(4-chlorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopentane-1-carboxamide
CID 122356582
N-(4-bromo-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 112790088
1-(4-chlorophenyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
CID 104818238
1-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 26357521
1-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)cyclopentane-1-carboxamide
CID 22176751
2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 97333993
1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 99706799
N-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 134002638
N-(2-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 86857924

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide (CID 43546753) is 1-(4-chlorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide is Cc1n[nH]c(C)c1NC(=O)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is OFRPFKAMYWXUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-9-13(10(2)19-18-9)17-14(20)15(7-8-15)11-3-5-12(16)6-4-11/h3-6H,7-8H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 1-(4-chlorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 43546753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).