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

C19H23FN4O — CID 119551636

IUPAC1-(2-fluoro-4-methylphenyl)-N-methyl-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)N(C)C3CCNC3)c3c2CCC3)c(F)c1
InChIInChI=1S/C19H23FN4O/c1-12-6-7-17(15(20)10-12)24-16-5-3-4-14(16)18(22-24)19(25)23(2)13-8-9-21-11-13/h6-7,10,13,21H,3-5,8-9,11H2,1-2H3
InChIKeyGXIMGWRNYGDECW-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.24
Rot. Bonds3

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

1-(2-fluoro-4-methylphenyl)-N-methyl-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 119551636) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-N-methyl-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-N-methyl-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID119551636
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name1-(2-fluoro-4-methylphenyl)-N-methyl-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)N(C)C3CCNC3)c3c2CCC3)c(F)c1
InChIInChI=1S/C19H23FN4O/c1-12-6-7-17(15(20)10-12)24-16-5-3-4-14(16)18(22-24)19(25)23(2)13-8-9-21-11-13/h6-7,10,13,21H,3-5,8-9,11H2,1-2H3
InChIKeyGXIMGWRNYGDECW-UHFFFAOYSA-N
XLogP2.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119550102
1-(2,4-dimethylphenyl)-N-methyl-N-piperidin-4-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119441897
N-methyl-1-(2-methylphenyl)-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119554064
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 120656035
4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554748
1-(2-fluoro-4-methylphenyl)-N-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119446402
1-(2-fluoro-4-methylphenyl)-N-[2-(methylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119501486
(3-aminopiperidin-1-yl)-[1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 119378821
1-(2-fluoro-4-methylphenyl)-N-[3-(methylamino)propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119431145
1-(2-fluoro-4-methylphenyl)-N-[2-(methylamino)propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 120830166
1-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 120553819
(3R,4R)-4-cyclopropyl-1-[1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 120978343

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-N-methyl-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-N-methyl-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 119551636) is 1-(2-fluoro-4-methylphenyl)-N-methyl-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-N-methyl-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-N-methyl-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)N(C)C3CCNC3)c3c2CCC3)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-N-methyl-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is GXIMGWRNYGDECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-12-6-7-17(15(20)10-12)24-16-5-3-4-14(16)18(22-24)19(25)23(2)13-8-9-21-11-13/h6-7,10,13,21H,3-5,8-9,11H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-N-methyl-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(2-fluoro-4-methylphenyl)-N-methyl-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-N-methyl-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 119551636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).