N-(4-chlorophenyl)-4-cyclopropyl-1-methylpyrazole-5-carboxamide

C14H14ClN3O — CID 154780024

IUPACN-(4-chlorophenyl)-4-cyclopropyl-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C2CC2)c1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O/c1-18-13(12(8-16-18)9-2-3-9)14(19)17-11-6-4-10(15)5-7-11/h4-9H,2-3H2,1H3,(H,17,19)
InChIKeyQLVCCXMARGRNTH-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.20
Rot. Bonds3

About N-(4-chlorophenyl)-4-cyclopropyl-1-methylpyrazole-5-carboxamide

N-(4-chlorophenyl)-4-cyclopropyl-1-methylpyrazole-5-carboxamide (PubChem CID 154780024) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-cyclopropyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-cyclopropyl-1-methylpyrazole-5-carboxamide
PubChem CID154780024
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC NameN-(4-chlorophenyl)-4-cyclopropyl-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C2CC2)c1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O/c1-18-13(12(8-16-18)9-2-3-9)14(19)17-11-6-4-10(15)5-7-11/h4-9H,2-3H2,1H3,(H,17,19)
InChIKeyQLVCCXMARGRNTH-UHFFFAOYSA-N
XLogP3.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(benzimidazol-1-ylmethyl)phenyl]-4-cyclobutyl-1-methylpyrazole-5-carboxamide
CID 126838804
cyclopropyl-(4-cyclopropyl-1-methylpyrazol-5-yl)methanone
CID 164644891
4-chloro-1-methyl-N-(4-nitrophenyl)pyrazole-5-carboxamide
CID 19475780
4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-1-methylpyrazole-5-carboxamide
CID 131940972
N-(4-acetamidophenyl)-5-chloro-1-methylpyrazole-4-carboxamide
CID 75538051
4-amino-N-(4-chlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 65357708
4-[(4-chlorophenyl)carbamoylamino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19449703
ethyl 4-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate
CID 973643
4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4862680
4-amino-N-(4-carbamoylphenyl)-1-methylpyrazole-5-carboxamide
CID 65355760
N-(3-cyclopropyl-4-fluorophenyl)-1-methylimidazole-4-carboxamide
CID 136540100
4-chloro-N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-6-yl]-1-methylpyrazole-5-carboxamide
CID 3135661

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-cyclopropyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-cyclopropyl-1-methylpyrazole-5-carboxamide (CID 154780024) is N-(4-chlorophenyl)-4-cyclopropyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-cyclopropyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-cyclopropyl-1-methylpyrazole-5-carboxamide is Cn1ncc(C2CC2)c1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-cyclopropyl-1-methylpyrazole-5-carboxamide?
The InChIKey is QLVCCXMARGRNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-18-13(12(8-16-18)9-2-3-9)14(19)17-11-6-4-10(15)5-7-11/h4-9H,2-3H2,1H3,(H,17,19).
What are the key properties of N-(4-chlorophenyl)-4-cyclopropyl-1-methylpyrazole-5-carboxamide?
N-(4-chlorophenyl)-4-cyclopropyl-1-methylpyrazole-5-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-cyclopropyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 154780024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).