N-(4-acetylphenyl)-4-chloro-1,3-dimethylpyrazole-5-carboxamide

C14H14ClN3O2 — CID 19476903

IUPACN-(4-acetylphenyl)-4-chloro-1,3-dimethylpyrazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2c(Cl)c(C)nn2C)cc1
InChIInChI=1S/C14H14ClN3O2/c1-8-12(15)13(18(3)17-8)14(20)16-11-6-4-10(5-7-11)9(2)19/h4-7H,1-3H3,(H,16,20)
InChIKeyHURXAFFVOZSWEO-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.84
Rot. Bonds3

About N-(4-acetylphenyl)-4-chloro-1,3-dimethylpyrazole-5-carboxamide

N-(4-acetylphenyl)-4-chloro-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 19476903) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-chloro-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-chloro-1,3-dimethylpyrazole-5-carboxamide
PubChem CID19476903
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC NameN-(4-acetylphenyl)-4-chloro-1,3-dimethylpyrazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2c(Cl)c(C)nn2C)cc1
InChIInChI=1S/C14H14ClN3O2/c1-8-12(15)13(18(3)17-8)14(20)16-11-6-4-10(5-7-11)9(2)19/h4-7H,1-3H3,(H,16,20)
InChIKeyHURXAFFVOZSWEO-UHFFFAOYSA-N
XLogP2.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-5-carboxamide
CID 3604338
4-chloro-N-(3-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 4615060
methyl 3-chloro-6-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-1-benzothiophene-2-carboxylate
CID 19477078
methyl 4-[(4-chloro-1-methyl-3-propylpyrazole-5-carbonyl)amino]benzoate
CID 850812
4-chloro-N-(2,5-dimethoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 4278668
4-chloro-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 5048499
4-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19476931
4-chloro-N-[(Z)-1-[3-[(3-fluorobenzoyl)amino]phenyl]ethylideneamino]-1,3-dimethylpyrazole-5-carboxamide
CID 6006651
4-chloro-1,3-dimethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide
CID 19476882
3-[3-[(4-acetylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506493
N-(3-acetylphenyl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
CID 47137762
4-amino-N-(4-tert-butylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121059

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-chloro-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-chloro-1,3-dimethylpyrazole-5-carboxamide (CID 19476903) is N-(4-acetylphenyl)-4-chloro-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-chloro-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-chloro-1,3-dimethylpyrazole-5-carboxamide is CC(=O)c1ccc(NC(=O)c2c(Cl)c(C)nn2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-chloro-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is HURXAFFVOZSWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-8-12(15)13(18(3)17-8)14(20)16-11-6-4-10(5-7-11)9(2)19/h4-7H,1-3H3,(H,16,20).
What are the key properties of N-(4-acetylphenyl)-4-chloro-1,3-dimethylpyrazole-5-carboxamide?
N-(4-acetylphenyl)-4-chloro-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-chloro-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 19476903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).