3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-5-carboxamide

C22H23N3O2 — CID 9205889

IUPAC3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-5-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C22H23N3O2/c1-24(15-17-8-6-7-11-21(17)27-2)22(26)20-14-19(16-12-13-16)23-25(20)18-9-4-3-5-10-18/h3-11,14,16H,12-13,15H2,1-2H3
InChIKeyAEYZKRGWNAXBLV-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.03
Rot. Bonds6

About 3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-5-carboxamide

3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-5-carboxamide (PubChem CID 9205889) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-5-carboxamide
PubChem CID9205889
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-5-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C22H23N3O2/c1-24(15-17-8-6-7-11-21(17)27-2)22(26)20-14-19(16-12-13-16)23-25(20)18-9-4-3-5-10-18/h3-11,14,16H,12-13,15H2,1-2H3
InChIKeyAEYZKRGWNAXBLV-UHFFFAOYSA-N
XLogP4.03
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404708
methyl 4-[[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)-methylamino]methyl]benzoate
CID 37416253
3-cyclopropyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-5-carboxamide
CID 43019758
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
CID 8998852
5-cyclopropyl-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 86881324
(4-cyano-2-methoxyphenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
CID 16556848
3-cyclopropyl-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-1-phenylpyrazole-5-carboxamide
CID 46656180
3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 27167430
3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide
CID 18169018
2-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 31361151
N-[(2-methoxyphenyl)methyl]-N-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 36997665
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 17441475

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-5-carboxamide (CID 9205889) is 3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-5-carboxamide is COc1ccccc1CN(C)C(=O)c1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of 3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-5-carboxamide?
The InChIKey is AEYZKRGWNAXBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-24(15-17-8-6-7-11-21(17)27-2)22(26)20-14-19(16-12-13-16)23-25(20)18-9-4-3-5-10-18/h3-11,14,16H,12-13,15H2,1-2H3.
What are the key properties of 3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-5-carboxamide?
3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-5-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 9205889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).