1-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]-3-methylpyrazole-4-carboxamide

C18H16BrN3O2 — CID 99636108

IUPAC1-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]-3-methylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(Br)cc2)cc1C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C18H16BrN3O2/c1-12-17(10-22(21-12)16-7-5-14(19)6-8-16)18(24)20-15-4-2-3-13(9-15)11-23/h2-10,23H,11H2,1H3,(H,20,24)
InChIKeyRSJANCGTQQGDMD-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.69
Rot. Bonds4

About 1-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]-3-methylpyrazole-4-carboxamide

1-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]-3-methylpyrazole-4-carboxamide (PubChem CID 99636108) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]-3-methylpyrazole-4-carboxamide
PubChem CID99636108
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name1-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]-3-methylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(Br)cc2)cc1C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C18H16BrN3O2/c1-12-17(10-22(21-12)16-7-5-14(19)6-8-16)18(24)20-15-4-2-3-13(9-15)11-23/h2-10,23H,11H2,1H3,(H,20,24)
InChIKeyRSJANCGTQQGDMD-UHFFFAOYSA-N
XLogP3.69
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethylphenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 9162880
4-bromo-N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 78988027
3-bromo-N-[3-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 104852214
(3-aminophenyl)methanol;1,3-dimethylpyrazole-4-carboxylic acid;N-[3-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide;thionyl dichloride
CID 161157795
N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxamide
CID 139443020
N-(3-tert-butylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 158670361
3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide
CID 1339749
N-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103895193
N-[3-(hydroxymethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 54898037
N-[3-(2-ethoxyethoxymethyl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 55806762
2,3-difluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 62660527
N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 51891435

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]-3-methylpyrazole-4-carboxamide (CID 99636108) is 1-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]-3-methylpyrazole-4-carboxamide is Cc1nn(-c2ccc(Br)cc2)cc1C(=O)Nc1cccc(CO)c1.
What is the InChIKey of 1-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is RSJANCGTQQGDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-12-17(10-22(21-12)16-7-5-14(19)6-8-16)18(24)20-15-4-2-3-13(9-15)11-23/h2-10,23H,11H2,1H3,(H,20,24).
What are the key properties of 1-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]-3-methylpyrazole-4-carboxamide?
1-(4-bromophenyl)-N-[3-(hydroxymethyl)phenyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 386.25 g/mol, XLogP of 3.69, 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-[3-(hydroxymethyl)phenyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 99636108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).