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

C23H21FN4O — CID 167839262

IUPAC1-(2-fluorophenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCN(Cc1cccc2[nH]ccc12)C(=O)c1nn(-c2ccccc2F)c2c1CCC2
InChIInChI=1S/C23H21FN4O/c1-27(14-15-6-4-9-19-16(15)12-13-25-19)23(29)22-17-7-5-11-20(17)28(26-22)21-10-3-2-8-18(21)24/h2-4,6,8-10,12-13,25H,5,7,11,14H2,1H3
InChIKeyJVFGFVDGAAJLAR-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.25
Rot. Bonds4

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

1-(2-fluorophenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 167839262) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID167839262
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name1-(2-fluorophenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCN(Cc1cccc2[nH]ccc12)C(=O)c1nn(-c2ccccc2F)c2c1CCC2
InChIInChI=1S/C23H21FN4O/c1-27(14-15-6-4-9-19-16(15)12-13-25-19)23(29)22-17-7-5-11-20(17)28(26-22)21-10-3-2-8-18(21)24/h2-4,6,8-10,12-13,25H,5,7,11,14H2,1H3
InChIKeyJVFGFVDGAAJLAR-UHFFFAOYSA-N
XLogP4.25
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indol-4-ylmethyl)-N-methyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 166226567
1-(2,4-dimethylphenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 167939132
N-[(2,4-difluorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39390008
1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110890136
N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-1-(2-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 97052638
1-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39272234
4-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]butanoic acid
CID 122107128
1-(2-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119550102
N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46451794
N-(2-ethylphenyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39297108
3-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207081
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39466398

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 167839262) is 1-(2-fluorophenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CN(Cc1cccc2[nH]ccc12)C(=O)c1nn(-c2ccccc2F)c2c1CCC2.
What is the InChIKey of 1-(2-fluorophenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is JVFGFVDGAAJLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-27(14-15-6-4-9-19-16(15)12-13-25-19)23(29)22-17-7-5-11-20(17)28(26-22)21-10-3-2-8-18(21)24/h2-4,6,8-10,12-13,25H,5,7,11,14H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(2-fluorophenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(1H-indol-4-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 167839262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).