5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide

C20H20ClN3O2 — CID 78771628

IUPAC5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)c1c(C)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C20H20ClN3O2/c1-13(16-11-7-8-12-17(16)26-3)22-20(25)18-14(2)23-24(19(18)21)15-9-5-4-6-10-15/h4-13H,1-3H3,(H,22,25)
InChIKeyHXMHNCFAWUWPIY-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.33
Rot. Bonds5

About 5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide

5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 78771628) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID78771628
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)c1c(C)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C20H20ClN3O2/c1-13(16-11-7-8-12-17(16)26-3)22-20(25)18-14(2)23-24(19(18)21)15-9-5-4-6-10-15/h4-13H,1-3H3,(H,22,25)
InChIKeyHXMHNCFAWUWPIY-UHFFFAOYSA-N
XLogP4.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 78771733
(2R)-2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 91645010
5-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 16574255
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26207097
5-chloro-3-methyl-N-[(2S)-6-methylheptan-2-yl]-1-phenylpyrazole-4-carboxamide
CID 2569570
5-chloro-3-methyl-1-phenyl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide
CID 4808544
3-(2-bromophenyl)-3-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 118727470
(2-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8576204
5-chloro-N'-[2-(2-fluorophenoxy)propanoyl]-3-methyl-1-phenylpyrazole-4-carbohydrazide
CID 43003708
5-chloro-1-(4-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methylpyrazole-4-carboxamide
CID 51966505
5-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 41497826
5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 1157510

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide (CID 78771628) is 5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide is COc1ccccc1C(C)NC(=O)c1c(C)nn(-c2ccccc2)c1Cl.
What is the InChIKey of 5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is HXMHNCFAWUWPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-13(16-11-7-8-12-17(16)26-3)22-20(25)18-14(2)23-24(19(18)21)15-9-5-4-6-10-15/h4-13H,1-3H3,(H,22,25).
What are the key properties of 5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide?
5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 78771628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).