N-(4-hydroxybutyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide

C14H17N3O3 — CID 136554520

IUPACN-(4-hydroxybutyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCCCCO)c1cc(-c2ccccc2O)n[nH]1
InChIInChI=1S/C14H17N3O3/c18-8-4-3-7-15-14(20)12-9-11(16-17-12)10-5-1-2-6-13(10)19/h1-2,5-6,9,18-19H,3-4,7-8H2,(H,15,20)(H,16,17)
InChIKeyJAZBEMCKNLVXAT-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.28
Rot. Bonds6

About N-(4-hydroxybutyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide

N-(4-hydroxybutyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 136554520) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID136554520
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(4-hydroxybutyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCCCCO)c1cc(-c2ccccc2O)n[nH]1
InChIInChI=1S/C14H17N3O3/c18-8-4-3-7-15-14(20)12-9-11(16-17-12)10-5-1-2-6-13(10)19/h1-2,5-6,9,18-19H,3-4,7-8H2,(H,15,20)(H,16,17)
InChIKeyJAZBEMCKNLVXAT-UHFFFAOYSA-N
XLogP1.28
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(4-hydroxybutyl)-1H-pyrazole-5-carboxamide
CID 106840125
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 103767439
3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135555084
N-(3-hydroxypropyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71569743
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
5-hydroxy-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide
CID 131991761
N-(5-hydroxy-4-methylpentyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 103862071
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 70776210
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
4-phenyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide
CID 131990295
3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 19510028

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-hydroxybutyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide (CID 136554520) is N-(4-hydroxybutyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-hydroxybutyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-hydroxybutyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide is O=C(NCCCCO)c1cc(-c2ccccc2O)n[nH]1.
What is the InChIKey of N-(4-hydroxybutyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is JAZBEMCKNLVXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-8-4-3-7-15-14(20)12-9-11(16-17-12)10-5-1-2-6-13(10)19/h1-2,5-6,9,18-19H,3-4,7-8H2,(H,15,20)(H,16,17).
What are the key properties of N-(4-hydroxybutyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
N-(4-hydroxybutyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.28, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 136554520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).