N-(4-bromo-2-methylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C14H14BrN3O — CID 110388945

IUPACN-(4-bromo-2-methylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C14H14BrN3O/c1-8-7-9(15)5-6-11(8)16-14(19)13-10-3-2-4-12(10)17-18-13/h5-7H,2-4H2,1H3,(H,16,19)(H,17,18)
InChIKeyVWKGZTISQXFARH-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.22
Rot. Bonds2

About N-(4-bromo-2-methylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-(4-bromo-2-methylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 110388945) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID110388945
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC NameN-(4-bromo-2-methylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C14H14BrN3O/c1-8-7-9(15)5-6-11(8)16-14(19)13-10-3-2-4-12(10)17-18-13/h5-7H,2-4H2,1H3,(H,16,19)(H,17,18)
InChIKeyVWKGZTISQXFARH-UHFFFAOYSA-N
XLogP3.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388942
N-(2,4-dimethylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 84578107
N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24595456
N-[1-(4-bromophenyl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112842470
methyl 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)benzoate
CID 110388929
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
N-(4-bromo-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 110676567
N-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110428948
N-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388915
N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005
N-(4-bromo-2-methylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943514
4-amino-N-(4-bromo-2-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687389

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 110388945) is N-(4-bromo-2-methylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is Cc1cc(Br)ccc1NC(=O)c1n[nH]c2c1CCC2.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is VWKGZTISQXFARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-8-7-9(15)5-6-11(8)16-14(19)13-10-3-2-4-12(10)17-18-13/h5-7H,2-4H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-(4-bromo-2-methylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-(4-bromo-2-methylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 110388945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).