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

C14H14ClN3O2 — CID 47137762

IUPACN-(3-acetylphenyl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2c(C)nn(C)c2Cl)c1
InChIInChI=1S/C14H14ClN3O2/c1-8-12(13(15)18(3)17-8)14(20)16-11-6-4-5-10(7-11)9(2)19/h4-7H,1-3H3,(H,16,20)
InChIKeyVUHCQWKKHOKDCT-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.84
Rot. Bonds3

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

N-(3-acetylphenyl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 47137762) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
PubChem CID47137762
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC NameN-(3-acetylphenyl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2c(C)nn(C)c2Cl)c1
InChIInChI=1S/C14H14ClN3O2/c1-8-12(13(15)18(3)17-8)14(20)16-11-6-4-5-10(7-11)9(2)19/h4-7H,1-3H3,(H,16,20)
InChIKeyVUHCQWKKHOKDCT-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

N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61059268
5-chloro-N-(3,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 18279655
5-chloro-N-(4-iodophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 18279909
5-chloro-1,3-dimethyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyrazole-4-carboxamide
CID 51951606
N-(3-carbamothioylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742889
5-chloro-1,3-dimethyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrazole-4-carboxamide
CID 31404536
5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 47137680
N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
CID 18205048
N-(3-acetylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120934
5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3132709
N-[3-(chloromethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 114293235
N-(3-carbamoylphenyl)-5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 46530418

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide (CID 47137762) is N-(3-acetylphenyl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide is CC(=O)c1cccc(NC(=O)c2c(C)nn(C)c2Cl)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is VUHCQWKKHOKDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-8-12(13(15)18(3)17-8)14(20)16-11-6-4-5-10(7-11)9(2)19/h4-7H,1-3H3,(H,16,20).
What are the key properties of N-(3-acetylphenyl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide?
N-(3-acetylphenyl)-5-chloro-1,3-dimethylpyrazole-4-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-(3-acetylphenyl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 47137762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).