3-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-1H-pyrazole-5-carboxamide

C19H18ClN3O — CID 112770772

IUPAC3-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C19H18ClN3O/c1-3-13-8-6-7-12(2)18(13)21-19(24)17-11-16(22-23-17)14-9-4-5-10-15(14)20/h4-11H,3H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyRNSGCTSMQIZVRG-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.85
Rot. Bonds4

About 3-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-1H-pyrazole-5-carboxamide

3-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 112770772) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID112770772
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name3-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C19H18ClN3O/c1-3-13-8-6-7-12(2)18(13)21-19(24)17-11-16(22-23-17)14-9-4-5-10-15(14)20/h4-11H,3H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyRNSGCTSMQIZVRG-UHFFFAOYSA-N
XLogP4.85
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 46920100
1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 3704943
2,4-dichloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 779360
2-amino-6-chloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 63659820
3-(2-chlorophenyl)-N-(3,4-difluorophenyl)-1H-pyrazole-5-carboxamide
CID 46920076
3-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide
CID 78860717
3-(2-chlorophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920056
3-amino-N-(2-ethyl-6-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 43337131
2-amino-5-chloro-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
CID 114921441
N-(2-ethyl-6-methylphenyl)-1H-indazole-5-carboxamide
CID 110485449
2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
CID 5128996
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 78861611

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-1H-pyrazole-5-carboxamide (CID 112770772) is 3-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-1H-pyrazole-5-carboxamide is CCc1cccc(C)c1NC(=O)c1cc(-c2ccccc2Cl)n[nH]1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is RNSGCTSMQIZVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-3-13-8-6-7-12(2)18(13)21-19(24)17-11-16(22-23-17)14-9-4-5-10-15(14)20/h4-11H,3H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 3-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-1H-pyrazole-5-carboxamide?
3-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 339.83 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 112770772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).