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

C14H14BrN3O — CID 110389093

IUPACN-(4-bromophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(Br)cc2)c2c1CCC2
InChIInChI=1S/C14H14BrN3O/c1-18-12-4-2-3-11(12)13(17-18)14(19)16-10-7-5-9(15)6-8-10/h5-8H,2-4H2,1H3,(H,16,19)
InChIKeyQCFUFDUOCCMHHM-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.92
Rot. Bonds2

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

N-(4-bromophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 110389093) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID110389093
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC NameN-(4-bromophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(Br)cc2)c2c1CCC2
InChIInChI=1S/C14H14BrN3O/c1-18-12-4-2-3-11(12)13(17-18)14(19)16-10-7-5-9(15)6-8-10/h5-8H,2-4H2,1H3,(H,16,19)
InChIKeyQCFUFDUOCCMHHM-UHFFFAOYSA-N
XLogP2.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389066
N-(3-bromo-4-methylphenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389094
1-methyl-N-(4-propan-2-ylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389080
1-methyl-N-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389064
N-(2,4-dimethylphenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389070
N-(2-chlorophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389083
N-(2,4-difluorophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389134
1-methyl-N-(2-propan-2-yloxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389101
1-methyl-N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 71720843
N-[(4-fluorophenyl)methyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389004
N-(4-aminophenyl)-5-(2-hydroxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 84614081
N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24595456

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 110389093) is N-(4-bromophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is Cn1nc(C(=O)Nc2ccc(Br)cc2)c2c1CCC2.
What is the InChIKey of N-(4-bromophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is QCFUFDUOCCMHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-18-12-4-2-3-11(12)13(17-18)14(19)16-10-7-5-9(15)6-8-10/h5-8H,2-4H2,1H3,(H,16,19).
What are the key properties of N-(4-bromophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-(4-bromophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 110389093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).