1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-methylpyrazole-4-carboxamide

C14H16BrN3O2 — CID 78856717

IUPAC1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)CO)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C14H16BrN3O2/c1-9(8-19)17-14(20)13-7-16-18(10(13)2)12-5-3-11(15)4-6-12/h3-7,9,19H,8H2,1-2H3,(H,17,20)
InChIKeyDUSRRHYMSBZEEO-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.05
Rot. Bonds4

About 1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-methylpyrazole-4-carboxamide

1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-methylpyrazole-4-carboxamide (PubChem CID 78856717) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-methylpyrazole-4-carboxamide
PubChem CID78856717
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)CO)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C14H16BrN3O2/c1-9(8-19)17-14(20)13-7-16-18(10(13)2)12-5-3-11(15)4-6-12/h3-7,9,19H,8H2,1-2H3,(H,17,20)
InChIKeyDUSRRHYMSBZEEO-UHFFFAOYSA-N
XLogP2.05
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-methylpyrazole-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

1-(4-bromophenyl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride
CID 120830367
N-(2-amino-1-cyclopropylethyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
CID 119614921
1-(4-bromophenyl)-5-methyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 32693366
N-(1-hydroxypropan-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 43419111
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
CID 119607007
1-(4-bromophenyl)-N-(3-methoxypropyl)-5-methylpyrazole-4-carboxamide
CID 32651721
1-(4-bromophenyl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-5-methylpyrazole-4-carboxamide
CID 60572248
1-(4-bromophenyl)-5-methyl-N-[2-(5-methylpyrimidin-2-yl)ethyl]pyrazole-4-carboxamide
CID 71907675
1-(4-bromophenyl)-N-[1-(3-methoxy-1,2-thiazol-5-yl)ethyl]-5-methylpyrazole-4-carboxamide
CID 154878186
1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide
CID 32908999
1-(4-bromophenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide
CID 46554617
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-methylpyrazole-4-carboxamide (CID 78856717) is 1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NC(C)CO)cnn1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-methylpyrazole-4-carboxamide?
The InChIKey is DUSRRHYMSBZEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-9(8-19)17-14(20)13-7-16-18(10(13)2)12-5-3-11(15)4-6-12/h3-7,9,19H,8H2,1-2H3,(H,17,20).
What are the key properties of 1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-methylpyrazole-4-carboxamide?
1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-methylpyrazole-4-carboxamide has a molecular weight of 338.21 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 78856717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).