N-(3-acetylphenyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide

C22H20ClN3O2 — CID 55604602

IUPACN-(3-acetylphenyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)c1
InChIInChI=1S/C22H20ClN3O2/c1-13-6-9-18(11-20(13)23)26-21(15-7-8-15)19(12-24-26)22(28)25-17-5-3-4-16(10-17)14(2)27/h3-6,9-12,15H,7-8H2,1-2H3,(H,25,28)
InChIKeyDNRCATWAVFKPDJ-UHFFFAOYSA-N
MW393.87 g/mol
LogP5.17
Rot. Bonds5

About N-(3-acetylphenyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide

N-(3-acetylphenyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide (PubChem CID 55604602) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide
PubChem CID55604602
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC NameN-(3-acetylphenyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)c1
InChIInChI=1S/C22H20ClN3O2/c1-13-6-9-18(11-20(13)23)26-21(15-7-8-15)19(12-24-26)22(28)25-17-5-3-4-16(10-17)14(2)27/h3-6,9-12,15H,7-8H2,1-2H3,(H,25,28)
InChIKeyDNRCATWAVFKPDJ-UHFFFAOYSA-N
XLogP5.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.87
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide
CID 46576352
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CID 20867343
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 119503054
1-(3-chloro-4-methylphenyl)-N-(2,3-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867340
1-(3-chloro-4-methylphenyl)-N-(3,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146051847
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55722150
1-(3-chloro-4-methylphenyl)-N-(2,5-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924089
[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402776
N-(2-amino-2-ethylbutyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide;hydrochloride
CID 119642684
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55867113
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 31884775
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119513306

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide (CID 55604602) is N-(3-acetylphenyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide is CC(=O)c1cccc(NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide?
The InChIKey is DNRCATWAVFKPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-13-6-9-18(11-20(13)23)26-21(15-7-8-15)19(12-24-26)22(28)25-17-5-3-4-16(10-17)14(2)27/h3-6,9-12,15H,7-8H2,1-2H3,(H,25,28).
What are the key properties of N-(3-acetylphenyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide?
N-(3-acetylphenyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide has a molecular weight of 393.87 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide is sourced from PubChem (CID 55604602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).