N-(5-hydroxy-4-methylpentyl)-3-phenyl-1H-pyrazole-5-carboxamide

C16H21N3O2 — CID 103862071

IUPACN-(5-hydroxy-4-methylpentyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCC(CO)CCCNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H21N3O2/c1-12(11-20)6-5-9-17-16(21)15-10-14(18-19-15)13-7-3-2-4-8-13/h2-4,7-8,10,12,20H,5-6,9,11H2,1H3,(H,17,21)(H,18,19)
InChIKeyKIIOFRYJRYFKTQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.22
Rot. Bonds7

About N-(5-hydroxy-4-methylpentyl)-3-phenyl-1H-pyrazole-5-carboxamide

N-(5-hydroxy-4-methylpentyl)-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 103862071) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID103862071
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(5-hydroxy-4-methylpentyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCC(CO)CCCNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H21N3O2/c1-12(11-20)6-5-9-17-16(21)15-10-14(18-19-15)13-7-3-2-4-8-13/h2-4,7-8,10,12,20H,5-6,9,11H2,1H3,(H,17,21)(H,18,19)
InChIKeyKIIOFRYJRYFKTQ-UHFFFAOYSA-N
XLogP2.22
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945
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-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43418024
N-(3-aminobutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 119494892
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-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 115612805
N-[3-[(3-aminobenzoyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 131990206
N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide
CID 103862364
N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 110205416
N-[3-[(5-bromofuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 131990274

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-3-phenyl-1H-pyrazole-5-carboxamide (CID 103862071) is N-(5-hydroxy-4-methylpentyl)-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-3-phenyl-1H-pyrazole-5-carboxamide is CC(CO)CCCNC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is KIIOFRYJRYFKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12(11-20)6-5-9-17-16(21)15-10-14(18-19-15)13-7-3-2-4-8-13/h2-4,7-8,10,12,20H,5-6,9,11H2,1H3,(H,17,21)(H,18,19).
What are the key properties of N-(5-hydroxy-4-methylpentyl)-3-phenyl-1H-pyrazole-5-carboxamide?
N-(5-hydroxy-4-methylpentyl)-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 103862071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).