3-(4-bromophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide

C12H12BrN3O2 — CID 71713482

IUPAC3-(4-bromophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCCO)c1cc(-c2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C12H12BrN3O2/c13-9-3-1-8(2-4-9)10-7-11(16-15-10)12(18)14-5-6-17/h1-4,7,17H,5-6H2,(H,14,18)(H,15,16)
InChIKeySITMPGGCJDOFLO-UHFFFAOYSA-N
MW310.15 g/mol
LogP1.56
Rot. Bonds4

About 3-(4-bromophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide

3-(4-bromophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide (PubChem CID 71713482) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide
PubChem CID71713482
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name3-(4-bromophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCCO)c1cc(-c2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C12H12BrN3O2/c13-9-3-1-8(2-4-9)10-7-11(16-15-10)12(18)14-5-6-17/h1-4,7,17H,5-6H2,(H,14,18)(H,15,16)
InChIKeySITMPGGCJDOFLO-UHFFFAOYSA-N
XLogP1.56
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-bromophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide (CID 71713482) is 3-(4-bromophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-bromophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide is O=C(NCCO)c1cc(-c2ccc(Br)cc2)n[nH]1.
What is the InChIKey of 3-(4-bromophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is SITMPGGCJDOFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c13-9-3-1-8(2-4-9)10-7-11(16-15-10)12(18)14-5-6-17/h1-4,7,17H,5-6H2,(H,14,18)(H,15,16).
What are the key properties of 3-(4-bromophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide?
3-(4-bromophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 310.15 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71713482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).