1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide

C16H18BrN3O2 — CID 46642626

IUPAC1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2CCCO2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C16H18BrN3O2/c1-11-15(16(21)18-9-14-3-2-8-22-14)10-19-20(11)13-6-4-12(17)5-7-13/h4-7,10,14H,2-3,8-9H2,1H3,(H,18,21)
InChIKeyLJSKDNQYRHYUEY-UHFFFAOYSA-N
MW364.24 g/mol
LogP2.85
Rot. Bonds4

About 1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide

1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 46642626) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID46642626
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC Name1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2CCCO2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C16H18BrN3O2/c1-11-15(16(21)18-9-14-3-2-8-22-14)10-19-20(11)13-6-4-12(17)5-7-13/h4-7,10,14H,2-3,8-9H2,1H3,(H,18,21)
InChIKeyLJSKDNQYRHYUEY-UHFFFAOYSA-N
XLogP2.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-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

5-methyl-1-(2-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818052
1-(4-bromophenyl)-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazole-4-carboxamide
CID 42944288
1-(4-bromophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide
CID 119461896
5-methyl-N-(oxolan-2-ylmethyl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788877
1-tert-butyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818036
5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
CID 95104450
4-[5-(4-bromophenyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 16652457
1-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 42818227
1-(4-bromophenyl)-N-cycloheptyl-5-methylpyrazole-4-carboxamide
CID 31942281
1-(4-bromophenyl)-5-methyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 32693366
1-(4-bromophenyl)-5-methyl-N-[2-(5-methylpyrimidin-2-yl)ethyl]pyrazole-4-carboxamide
CID 71907675
1-(4-bromophenyl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride
CID 120830367

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide (CID 46642626) is 1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide is Cc1c(C(=O)NCC2CCCO2)cnn1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is LJSKDNQYRHYUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c1-11-15(16(21)18-9-14-3-2-8-22-14)10-19-20(11)13-6-4-12(17)5-7-13/h4-7,10,14H,2-3,8-9H2,1H3,(H,18,21).
What are the key properties of 1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 364.24 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 46642626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).