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

C19H25ClN4O — CID 119554064

IUPACN-methyl-1-(2-methylphenyl)-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
SMILESCc1ccccc1-n1nc(C(=O)N(C)C2CCNC2)c2c1CCC2.Cl
InChIInChI=1S/C19H24N4O.ClH/c1-13-6-3-4-8-16(13)23-17-9-5-7-15(17)18(21-23)19(24)22(2)14-10-11-20-12-14;/h3-4,6,8,14,20H,5,7,9-12H2,1-2H3;1H
InChIKeyPCLOXZVUDKESHT-UHFFFAOYSA-N
MW360.89 g/mol
LogP2.53
Rot. Bonds3

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

N-methyl-1-(2-methylphenyl)-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride (PubChem CID 119554064) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is N-methyl-1-(2-methylphenyl)-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(2-methylphenyl)-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
PubChem CID119554064
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC NameN-methyl-1-(2-methylphenyl)-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
SMILESCc1ccccc1-n1nc(C(=O)N(C)C2CCNC2)c2c1CCC2.Cl
InChIInChI=1S/C19H24N4O.ClH/c1-13-6-3-4-8-16(13)23-17-9-5-7-15(17)18(21-23)19(24)22(2)14-10-11-20-12-14;/h3-4,6,8,14,20H,5,7,9-12H2,1-2H3;1H
InChIKeyPCLOXZVUDKESHT-UHFFFAOYSA-N
XLogP2.53
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 52.53
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-fluoro-4-methylphenyl)-N-methyl-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119551636
1-(2,4-dimethylphenyl)-N-methyl-N-piperidin-4-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119441897
1-(2-methylphenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119428503
N-methyl-1-(2-methylphenyl)-N-[(3R)-pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 125134433
N-methyl-1-(2-methylphenyl)-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 125134432
(3-hydroxyazetidin-1-yl)-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 71920014
2,5-dihydropyrrol-1-yl-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 126827969
N,2,5-trimethyl-1-(2-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide
CID 119554350
N-(2-hydroxyethyl)-1-(2-methylphenyl)-N-propyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110907858
N-(3-amino-4-methylpentyl)-N-methyl-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119660746
2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]acetic acid
CID 119198235

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylphenyl)-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-methyl-1-(2-methylphenyl)-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride (CID 119554064) is N-methyl-1-(2-methylphenyl)-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-1-(2-methylphenyl)-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-1-(2-methylphenyl)-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride is Cc1ccccc1-n1nc(C(=O)N(C)C2CCNC2)c2c1CCC2.Cl.
What is the InChIKey of N-methyl-1-(2-methylphenyl)-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is PCLOXZVUDKESHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O.ClH/c1-13-6-3-4-8-16(13)23-17-9-5-7-15(17)18(21-23)19(24)22(2)14-10-11-20-12-14;/h3-4,6,8,14,20H,5,7,9-12H2,1-2H3;1H.
What are the key properties of N-methyl-1-(2-methylphenyl)-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
N-methyl-1-(2-methylphenyl)-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylphenyl)-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119554064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).