N-[(2-methoxyphenyl)methyl]-N-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C23H25N3O2 — CID 36997665

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2
InChIInChI=1S/C23H25N3O2/c1-16-11-13-18(14-12-16)26-20-9-6-8-19(20)22(24-26)23(27)25(2)15-17-7-4-5-10-21(17)28-3/h4-5,7,10-14H,6,8-9,15H2,1-3H3
InChIKeyJHICZHVLRCXXRY-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.95
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-N-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

N-[(2-methoxyphenyl)methyl]-N-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 36997665) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID36997665
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2
InChIInChI=1S/C23H25N3O2/c1-16-11-13-18(14-12-16)26-20-9-6-8-19(20)22(24-26)23(27)25(2)15-17-7-4-5-10-21(17)28-3/h4-5,7,10-14H,6,8-9,15H2,1-3H3
InChIKeyJHICZHVLRCXXRY-UHFFFAOYSA-N
XLogP3.95
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 55874297
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 48652204
N-(1H-indol-4-ylmethyl)-N-methyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 166226567
2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]acetic acid
CID 119172389
N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17498296
1-(4-fluorophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24611876
N-(2-anilino-2-oxoethyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55957907
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55598782
N-[(2,4-difluorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39390008
N-methyl-1-(4-methylphenyl)-5-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide
CID 17052382
1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 16776357
3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-5-carboxamide
CID 9205889

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 36997665) is N-[(2-methoxyphenyl)methyl]-N-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is COc1ccccc1CN(C)C(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is JHICZHVLRCXXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-11-13-18(14-12-16)26-20-9-6-8-19(20)22(24-26)23(27)25(2)15-17-7-4-5-10-21(17)28-3/h4-5,7,10-14H,6,8-9,15H2,1-3H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-N-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 36997665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).