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

C20H28N4O — CID 119668203

IUPACN-(1-aminohexan-2-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCCCCC(CN)NC(=O)c1nn(-c2ccccc2C)c2c1CCC2
InChIInChI=1S/C20H28N4O/c1-3-4-9-15(13-21)22-20(25)19-16-10-7-12-18(16)24(23-19)17-11-6-5-8-14(17)2/h5-6,8,11,15H,3-4,7,9-10,12-13,21H2,1-2H3,(H,22,25)
InChIKeyYZFQAXYQTRAZTL-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.92
Rot. Bonds7

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

N-(1-aminohexan-2-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 119668203) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID119668203
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-(1-aminohexan-2-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCCCCC(CN)NC(=O)c1nn(-c2ccccc2C)c2c1CCC2
InChIInChI=1S/C20H28N4O/c1-3-4-9-15(13-21)22-20(25)19-16-10-7-12-18(16)24(23-19)17-11-6-5-8-14(17)2/h5-6,8,11,15H,3-4,7,9-10,12-13,21H2,1-2H3,(H,22,25)
InChIKeyYZFQAXYQTRAZTL-UHFFFAOYSA-N
XLogP2.92
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119408402
N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 126818881
(2R)-3-methyl-2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]butanoic acid
CID 119368106
2-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid
CID 122108526
N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 119666920
N-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]formamide
CID 125419556
N-[3-(2-hydroxyethoxy)propyl]-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110022185
N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 122158695
N-(2-hydroxyethyl)-1-(2-methylphenyl)-N-propyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110907858
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 119486710
N-(3-amino-2-methylpropyl)-1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119995427
1-(2-fluorophenyl)-N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46451658

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 119668203) is N-(1-aminohexan-2-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CCCCC(CN)NC(=O)c1nn(-c2ccccc2C)c2c1CCC2.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is YZFQAXYQTRAZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-3-4-9-15(13-21)22-20(25)19-16-10-7-12-18(16)24(23-19)17-11-6-5-8-14(17)2/h5-6,8,11,15H,3-4,7,9-10,12-13,21H2,1-2H3,(H,22,25).
What are the key properties of N-(1-aminohexan-2-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-(1-aminohexan-2-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 119668203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).