5-cyclopropyl-1-(2-methylphenyl)-N-(2-phenoxyethyl)pyrazole-4-carboxamide

C22H23N3O2 — CID 37352740

IUPAC5-cyclopropyl-1-(2-methylphenyl)-N-(2-phenoxyethyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)NCCOc2ccccc2)c1C1CC1
InChIInChI=1S/C22H23N3O2/c1-16-7-5-6-10-20(16)25-21(17-11-12-17)19(15-24-25)22(26)23-13-14-27-18-8-3-2-4-9-18/h2-10,15,17H,11-14H2,1H3,(H,23,26)
InChIKeyCUCMUTOCDDDJRU-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.87
Rot. Bonds7

About 5-cyclopropyl-1-(2-methylphenyl)-N-(2-phenoxyethyl)pyrazole-4-carboxamide

5-cyclopropyl-1-(2-methylphenyl)-N-(2-phenoxyethyl)pyrazole-4-carboxamide (PubChem CID 37352740) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2-methylphenyl)-N-(2-phenoxyethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(2-methylphenyl)-N-(2-phenoxyethyl)pyrazole-4-carboxamide
PubChem CID37352740
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name5-cyclopropyl-1-(2-methylphenyl)-N-(2-phenoxyethyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)NCCOc2ccccc2)c1C1CC1
InChIInChI=1S/C22H23N3O2/c1-16-7-5-6-10-20(16)25-21(17-11-12-17)19(15-24-25)22(26)23-13-14-27-18-8-3-2-4-9-18/h2-10,15,17H,11-14H2,1H3,(H,23,26)
InChIKeyCUCMUTOCDDDJRU-UHFFFAOYSA-N
XLogP3.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidopropyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 37175638
5-cyclopropyl-1-(2-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 37002386
5-cyclopropyl-1-(2-methylphenyl)-N-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 36997228
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]pyrazole-4-carboxamide
CID 55609258
5-cyclohexyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid
CID 82361439
N-(2-chlorophenyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 46596720
[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 36993627
5-cyclopropyl-N-[4-(cyclopropylcarbamoyl)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 37032644
[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-piperidin-1-ylmethanone
CID 36978780
5-cyclopropyl-1-(2-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 37022263
5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 37022037
5-cyclopropyl-N-[(2-hydroxy-5-nitrophenyl)methyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 46596652

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2-methylphenyl)-N-(2-phenoxyethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(2-methylphenyl)-N-(2-phenoxyethyl)pyrazole-4-carboxamide (CID 37352740) is 5-cyclopropyl-1-(2-methylphenyl)-N-(2-phenoxyethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(2-methylphenyl)-N-(2-phenoxyethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(2-methylphenyl)-N-(2-phenoxyethyl)pyrazole-4-carboxamide is Cc1ccccc1-n1ncc(C(=O)NCCOc2ccccc2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(2-methylphenyl)-N-(2-phenoxyethyl)pyrazole-4-carboxamide?
The InChIKey is CUCMUTOCDDDJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-7-5-6-10-20(16)25-21(17-11-12-17)19(15-24-25)22(26)23-13-14-27-18-8-3-2-4-9-18/h2-10,15,17H,11-14H2,1H3,(H,23,26).
What are the key properties of 5-cyclopropyl-1-(2-methylphenyl)-N-(2-phenoxyethyl)pyrazole-4-carboxamide?
5-cyclopropyl-1-(2-methylphenyl)-N-(2-phenoxyethyl)pyrazole-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2-methylphenyl)-N-(2-phenoxyethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 37352740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).