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

C12H13N3O2 — CID 43392945

IUPACN-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NCCO)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C12H13N3O2/c16-7-6-13-12(17)11-8-10(14-15-11)9-4-2-1-3-5-9/h1-5,8,16H,6-7H2,(H,13,17)(H,14,15)
InChIKeyDXNWJHVINZJFEE-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.80
Rot. Bonds4

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

N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 43392945) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID43392945
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NCCO)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C12H13N3O2/c16-7-6-13-12(17)11-8-10(14-15-11)9-4-2-1-3-5-9/h1-5,8,16H,6-7H2,(H,13,17)(H,14,15)
InChIKeyDXNWJHVINZJFEE-UHFFFAOYSA-N
XLogP0.80
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 103767439
N-(5-hydroxy-4-methylpentyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 103862071
N-[(E)-pent-3-enyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 115628445
4-phenyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide
CID 131990295
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 114751786
N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17499235
5-hydroxy-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide
CID 131991761
N-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 115612805
3-N,5-N-bis(2-hydroxyethyl)-1H-pyrazole-3,5-dicarboxamide
CID 163353826
N-[3-[(3-aminobenzoyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 131990206
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide (CID 43392945) is N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide is O=C(NCCO)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is DXNWJHVINZJFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-7-6-13-12(17)11-8-10(14-15-11)9-4-2-1-3-5-9/h1-5,8,16H,6-7H2,(H,13,17)(H,14,15).
What are the key properties of N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide?
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 43392945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).