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

C21H31ClN4O — CID 119660746

IUPACN-(3-amino-4-methylpentyl)-N-methyl-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
SMILESCc1ccccc1-n1nc(C(=O)N(C)CCC(N)C(C)C)c2c1CCC2.Cl
InChIInChI=1S/C21H30N4O.ClH/c1-14(2)17(22)12-13-24(4)21(26)20-16-9-7-11-19(16)25(23-20)18-10-6-5-8-15(18)3;/h5-6,8,10,14,17H,7,9,11-13,22H2,1-4H3;1H
InChIKeyGLUJNTZSSHYCBG-UHFFFAOYSA-N
MW390.96 g/mol
LogP3.54
Rot. Bonds6

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

N-(3-amino-4-methylpentyl)-N-methyl-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride (PubChem CID 119660746) has the molecular formula C21H31ClN4O and a molecular weight of 390.96 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
PubChem CID119660746
Molecular FormulaC21H31ClN4O
Molecular Weight390.96 g/mol
Exact Mass390.22
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
SMILESCc1ccccc1-n1nc(C(=O)N(C)CCC(N)C(C)C)c2c1CCC2.Cl
InChIInChI=1S/C21H30N4O.ClH/c1-14(2)17(22)12-13-24(4)21(26)20-16-9-7-11-19(16)25(23-20)18-10-6-5-8-15(18)3;/h5-6,8,10,14,17H,7,9,11-13,22H2,1-4H3;1H
InChIKeyGLUJNTZSSHYCBG-UHFFFAOYSA-N
XLogP3.54
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.96
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]acetic acid
CID 119198235
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 48652204
1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110890136
N-(2-hydroxyethyl)-1-(2-methylphenyl)-N-propyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110907858
[3-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride
CID 119596232
N-(3-aminopropyl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119408402
N-methyl-1-(2-methylphenyl)-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119554064
1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 48662023
tert-butyl 2-[2-(dimethylamino)ethyl-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetate
CID 60618923
(2R)-3-methyl-2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]butanoic acid
CID 119368106
(3-hydroxyazetidin-1-yl)-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 71920014
N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 126818881

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride (CID 119660746) is N-(3-amino-4-methylpentyl)-N-methyl-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride is Cc1ccccc1-n1nc(C(=O)N(C)CCC(N)C(C)C)c2c1CCC2.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is GLUJNTZSSHYCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O.ClH/c1-14(2)17(22)12-13-24(4)21(26)20-16-9-7-11-19(16)25(23-20)18-10-6-5-8-15(18)3;/h5-6,8,10,14,17H,7,9,11-13,22H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 390.96 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119660746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).