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

C14H14ClN3O — CID 110389083

IUPACN-(2-chlorophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccccc2Cl)c2c1CCC2
InChIInChI=1S/C14H14ClN3O/c1-18-12-8-4-5-9(12)13(17-18)14(19)16-11-7-3-2-6-10(11)15/h2-3,6-7H,4-5,8H2,1H3,(H,16,19)
InChIKeyIQIJQUZFEQXLMI-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.81
Rot. Bonds2

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

N-(2-chlorophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 110389083) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID110389083
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC NameN-(2-chlorophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccccc2Cl)c2c1CCC2
InChIInChI=1S/C14H14ClN3O/c1-18-12-8-4-5-9(12)13(17-18)14(19)16-11-7-3-2-6-10(11)15/h2-3,6-7H,4-5,8H2,1H3,(H,16,19)
InChIKeyIQIJQUZFEQXLMI-UHFFFAOYSA-N
XLogP2.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389064
1-methyl-N-(2-propan-2-yloxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389101
N-(2,4-dimethylphenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389070
N-(2-chlorophenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16590366
N-(2,4-difluorophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389134
1-methyl-N-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389066
1-methyl-N-(4-propan-2-ylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389080
N-(4-bromophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389093
N-(3-bromo-4-methylphenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389094
1-methyl-N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 71720843
N-(2-chloro-4-fluorophenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25490165
N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110420482

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 110389083) is N-(2-chlorophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is Cn1nc(C(=O)Nc2ccccc2Cl)c2c1CCC2.
What is the InChIKey of N-(2-chlorophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is IQIJQUZFEQXLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-18-12-8-4-5-9(12)13(17-18)14(19)16-11-7-3-2-6-10(11)15/h2-3,6-7H,4-5,8H2,1H3,(H,16,19).
What are the key properties of N-(2-chlorophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-(2-chlorophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 110389083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).