N-(1H-indol-4-ylmethyl)-N-methyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C23H22N4O — CID 166226567

IUPACN-(1H-indol-4-ylmethyl)-N-methyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCN(Cc1cccc2[nH]ccc12)C(=O)c1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C23H22N4O/c1-26(15-16-7-5-11-20-18(16)13-14-24-20)23(28)22-19-10-6-12-21(19)27(25-22)17-8-3-2-4-9-17/h2-5,7-9,11,13-14,24H,6,10,12,15H2,1H3
InChIKeyLIFQPKIHTDYCIB-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.11
Rot. Bonds4

About N-(1H-indol-4-ylmethyl)-N-methyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

N-(1H-indol-4-ylmethyl)-N-methyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 166226567) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is N-(1H-indol-4-ylmethyl)-N-methyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-4-ylmethyl)-N-methyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID166226567
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC NameN-(1H-indol-4-ylmethyl)-N-methyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCN(Cc1cccc2[nH]ccc12)C(=O)c1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C23H22N4O/c1-26(15-16-7-5-11-20-18(16)13-14-24-20)23(28)22-19-10-6-12-21(19)27(25-22)17-8-3-2-4-9-17/h2-5,7-9,11,13-14,24H,6,10,12,15H2,1H3
InChIKeyLIFQPKIHTDYCIB-UHFFFAOYSA-N
XLogP4.11
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 167839262
1-(2,4-dimethylphenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 167939132
N-[(2-methoxyphenyl)methyl]-N-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 36997665
1-(4-fluorophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24611876
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
N-(1H-indol-4-ylmethyl)-N-methyl-6-oxo-1-phenylpiperidine-3-carboxamide
CID 166397726
2-[[1-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbonyl]-methylamino]acetic acid
CID 119171786
ethyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 14576148
2,3-dihydroxy-N-(1H-indol-4-ylmethyl)-N-methylbenzamide
CID 122149826
N-[3-(dimethylamino)propyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389156
2-[cyclopropyl-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)amino]acetic acid
CID 119194785

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-ylmethyl)-N-methyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(1H-indol-4-ylmethyl)-N-methyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 166226567) is N-(1H-indol-4-ylmethyl)-N-methyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(1H-indol-4-ylmethyl)-N-methyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(1H-indol-4-ylmethyl)-N-methyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CN(Cc1cccc2[nH]ccc12)C(=O)c1nn(-c2ccccc2)c2c1CCC2.
What is the InChIKey of N-(1H-indol-4-ylmethyl)-N-methyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is LIFQPKIHTDYCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-26(15-16-7-5-11-20-18(16)13-14-24-20)23(28)22-19-10-6-12-21(19)27(25-22)17-8-3-2-4-9-17/h2-5,7-9,11,13-14,24H,6,10,12,15H2,1H3.
What are the key properties of N-(1H-indol-4-ylmethyl)-N-methyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-(1H-indol-4-ylmethyl)-N-methyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-ylmethyl)-N-methyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 166226567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).