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

C20H28N4O — CID 95767759

IUPACN-[(2R)-4-(dimethylamino)butan-2-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)N[C@H](C)CCN(C)C)c3c2CCC3)cc1
InChIInChI=1S/C20H28N4O/c1-14-8-10-16(11-9-14)24-18-7-5-6-17(18)19(22-24)20(25)21-15(2)12-13-23(3)4/h8-11,15H,5-7,12-13H2,1-4H3,(H,21,25)/t15-/m1/s1
InChIKeyLLSYRNBJUHGKMJ-OAHLLOKOSA-N
MW340.47 g/mol
LogP2.74
Rot. Bonds6

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

N-[(2R)-4-(dimethylamino)butan-2-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 95767759) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[(2R)-4-(dimethylamino)butan-2-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-(dimethylamino)butan-2-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID95767759
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[(2R)-4-(dimethylamino)butan-2-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)N[C@H](C)CCN(C)C)c3c2CCC3)cc1
InChIInChI=1S/C20H28N4O/c1-14-8-10-16(11-9-14)24-18-7-5-6-17(18)19(22-24)20(25)21-15(2)12-13-23(3)4/h8-11,15H,5-7,12-13H2,1-4H3,(H,21,25)/t15-/m1/s1
InChIKeyLLSYRNBJUHGKMJ-OAHLLOKOSA-N
XLogP2.74
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxybutan-2-yl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 146126250
2-[[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]butanoic acid
CID 119223631
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55597509
1-(4-methylphenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55879885
3-[[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207207
N-[2-(methylamino)ethyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 119503192
N-(1-amino-2-methylpropan-2-yl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119521520
N-[3-(dimethylamino)propyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389156
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 120948518
3-[[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]propanoic acid
CID 119351217
1-phenyl-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110374225
N-(2-anilino-2-oxoethyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55957907

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(dimethylamino)butan-2-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(2R)-4-(dimethylamino)butan-2-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 95767759) is N-[(2R)-4-(dimethylamino)butan-2-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-4-(dimethylamino)butan-2-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(2R)-4-(dimethylamino)butan-2-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)N[C@H](C)CCN(C)C)c3c2CCC3)cc1.
What is the InChIKey of N-[(2R)-4-(dimethylamino)butan-2-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is LLSYRNBJUHGKMJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14-8-10-16(11-9-14)24-18-7-5-6-17(18)19(22-24)20(25)21-15(2)12-13-23(3)4/h8-11,15H,5-7,12-13H2,1-4H3,(H,21,25)/t15-/m1/s1.
What are the key properties of N-[(2R)-4-(dimethylamino)butan-2-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-[(2R)-4-(dimethylamino)butan-2-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(dimethylamino)butan-2-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 95767759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).