N-(4-bromocyclohexyl)-1-methylpyrazole-4-carboxamide

C11H16BrN3O — CID 114309173

IUPACN-(4-bromocyclohexyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCC(Br)CC2)cn1
InChIInChI=1S/C11H16BrN3O/c1-15-7-8(6-13-15)11(16)14-10-4-2-9(12)3-5-10/h6-7,9-10H,2-5H2,1H3,(H,14,16)
InChIKeyCSVUSBGNTMGTDL-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.86
Rot. Bonds2

About N-(4-bromocyclohexyl)-1-methylpyrazole-4-carboxamide

N-(4-bromocyclohexyl)-1-methylpyrazole-4-carboxamide (PubChem CID 114309173) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is N-(4-bromocyclohexyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromocyclohexyl)-1-methylpyrazole-4-carboxamide
PubChem CID114309173
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC NameN-(4-bromocyclohexyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCC(Br)CC2)cn1
InChIInChI=1S/C11H16BrN3O/c1-15-7-8(6-13-15)11(16)14-10-4-2-9(12)3-5-10/h6-7,9-10H,2-5H2,1H3,(H,14,16)
InChIKeyCSVUSBGNTMGTDL-UHFFFAOYSA-N
XLogP1.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide
CID 4712824
1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 47170090
N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 51091043
1-methyl-N-[1-(2-methylbutylsulfonyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 154748608
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 18146068
1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide
CID 47242136
N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 171993981
4-bromo-N-(4-bromocyclohexyl)benzamide
CID 114309063
4-[(1-propylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524563
N-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 31364847
N-[2-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-carboxamide
CID 106366042
1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-carboxamide
CID 63326138

Frequently Asked Questions

What is the IUPAC name of N-(4-bromocyclohexyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(4-bromocyclohexyl)-1-methylpyrazole-4-carboxamide (CID 114309173) is N-(4-bromocyclohexyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-bromocyclohexyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-bromocyclohexyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC2CCC(Br)CC2)cn1.
What is the InChIKey of N-(4-bromocyclohexyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is CSVUSBGNTMGTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-15-7-8(6-13-15)11(16)14-10-4-2-9(12)3-5-10/h6-7,9-10H,2-5H2,1H3,(H,14,16).
What are the key properties of N-(4-bromocyclohexyl)-1-methylpyrazole-4-carboxamide?
N-(4-bromocyclohexyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 286.17 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromocyclohexyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 114309173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).