N-[(2-methylpropan-2-yl)oxy]-3-phenyl-1H-pyrazole-5-carboxamide

C14H17N3O2 — CID 82723163

IUPACN-[(2-methylpropan-2-yl)oxy]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCC(C)(C)ONC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C14H17N3O2/c1-14(2,3)19-17-13(18)12-9-11(15-16-12)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,15,16)(H,17,18)
InChIKeyXUYHWHJXZQAWED-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.54
Rot. Bonds3

About N-[(2-methylpropan-2-yl)oxy]-3-phenyl-1H-pyrazole-5-carboxamide

N-[(2-methylpropan-2-yl)oxy]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 82723163) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID82723163
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCC(C)(C)ONC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C14H17N3O2/c1-14(2,3)19-17-13(18)12-9-11(15-16-12)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,15,16)(H,17,18)
InChIKeyXUYHWHJXZQAWED-UHFFFAOYSA-N
XLogP2.54
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 644585
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259
N-(4-acetamidophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 26273244
N-(2-amino-2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119643000
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 126775116
N-(4-methylpiperazin-1-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 8888927
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43418024
N'-(2-naphthalen-2-yloxyacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 40591056
N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27698464

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-3-phenyl-1H-pyrazole-5-carboxamide (CID 82723163) is N-[(2-methylpropan-2-yl)oxy]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-3-phenyl-1H-pyrazole-5-carboxamide is CC(C)(C)ONC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is XUYHWHJXZQAWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(2,3)19-17-13(18)12-9-11(15-16-12)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,15,16)(H,17,18).
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(2-methylpropan-2-yl)oxy]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 82723163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).