1-[(4-bromophenoxy)methyl]-N-(4-methylcyclohexyl)pyrazole-3-carboxamide

C18H22BrN3O2 — CID 4774912

IUPAC1-[(4-bromophenoxy)methyl]-N-(4-methylcyclohexyl)pyrazole-3-carboxamide
SMILESCC1CCC(NC(=O)c2ccn(COc3ccc(Br)cc3)n2)CC1
InChIInChI=1S/C18H22BrN3O2/c1-13-2-6-15(7-3-13)20-18(23)17-10-11-22(21-17)12-24-16-8-4-14(19)5-9-16/h4-5,8-11,13,15H,2-3,6-7,12H2,1H3,(H,20,23)
InChIKeySWEOGTHBMANWAU-UHFFFAOYSA-N
MW392.30 g/mol
LogP3.99
Rot. Bonds5

About 1-[(4-bromophenoxy)methyl]-N-(4-methylcyclohexyl)pyrazole-3-carboxamide

1-[(4-bromophenoxy)methyl]-N-(4-methylcyclohexyl)pyrazole-3-carboxamide (PubChem CID 4774912) has the molecular formula C18H22BrN3O2 and a molecular weight of 392.30 g/mol. Its IUPAC name is 1-[(4-bromophenoxy)methyl]-N-(4-methylcyclohexyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-bromophenoxy)methyl]-N-(4-methylcyclohexyl)pyrazole-3-carboxamide
PubChem CID4774912
Molecular FormulaC18H22BrN3O2
Molecular Weight392.30 g/mol
Exact Mass391.09
IUPAC Name1-[(4-bromophenoxy)methyl]-N-(4-methylcyclohexyl)pyrazole-3-carboxamide
SMILESCC1CCC(NC(=O)c2ccn(COc3ccc(Br)cc3)n2)CC1
InChIInChI=1S/C18H22BrN3O2/c1-13-2-6-15(7-3-13)20-18(23)17-10-11-22(21-17)12-24-16-8-4-14(19)5-9-16/h4-5,8-11,13,15H,2-3,6-7,12H2,1H3,(H,20,23)
InChIKeySWEOGTHBMANWAU-UHFFFAOYSA-N
XLogP3.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-bromophenoxy)methyl]-N-(4-methylcyclohexyl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273362
1-[(4-bromophenoxy)methyl]-N-ethylpyrazole-3-carboxamide
CID 19272514
1-[(4-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 4774524
1-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopropylpyrazole-3-carboxamide
CID 19271346
N-(1-methylpiperidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271179
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273562
1-[(4-chloro-3-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 4865245
[1-[(4-bromophenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 35527935
1-[(4-bromophenoxy)methyl]-N-[3-(4-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
CID 19328139
4-[[1-[(4-bromophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396359
ethyl (E)-3-[[1-[(4-bromophenoxy)methyl]pyrazole-3-carbonyl]amino]but-2-enoate
CID 19272468
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-[(4-bromophenoxy)methyl]pyrazole-3-carboxamide
CID 19296548

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenoxy)methyl]-N-(4-methylcyclohexyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-bromophenoxy)methyl]-N-(4-methylcyclohexyl)pyrazole-3-carboxamide (CID 4774912) is 1-[(4-bromophenoxy)methyl]-N-(4-methylcyclohexyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-bromophenoxy)methyl]-N-(4-methylcyclohexyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-bromophenoxy)methyl]-N-(4-methylcyclohexyl)pyrazole-3-carboxamide is CC1CCC(NC(=O)c2ccn(COc3ccc(Br)cc3)n2)CC1.
What is the InChIKey of 1-[(4-bromophenoxy)methyl]-N-(4-methylcyclohexyl)pyrazole-3-carboxamide?
The InChIKey is SWEOGTHBMANWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O2/c1-13-2-6-15(7-3-13)20-18(23)17-10-11-22(21-17)12-24-16-8-4-14(19)5-9-16/h4-5,8-11,13,15H,2-3,6-7,12H2,1H3,(H,20,23).
What are the key properties of 1-[(4-bromophenoxy)methyl]-N-(4-methylcyclohexyl)pyrazole-3-carboxamide?
1-[(4-bromophenoxy)methyl]-N-(4-methylcyclohexyl)pyrazole-3-carboxamide has a molecular weight of 392.30 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenoxy)methyl]-N-(4-methylcyclohexyl)pyrazole-3-carboxamide is sourced from PubChem (CID 4774912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).