N-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole-3-carboxamide

C14H17N3O2 — CID 82723479

IUPACN-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole-3-carboxamide
SMILESCC(C)(C)ONC(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C14H17N3O2/c1-14(2,3)19-16-13(18)12-9-10-17(15-12)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,16,18)
InChIKeyDOYDBUJODFFWBL-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.33
Rot. Bonds3

About N-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole-3-carboxamide

N-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole-3-carboxamide (PubChem CID 82723479) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole-3-carboxamide
PubChem CID82723479
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole-3-carboxamide
SMILESCC(C)(C)ONC(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C14H17N3O2/c1-14(2,3)19-16-13(18)12-9-10-17(15-12)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,16,18)
InChIKeyDOYDBUJODFFWBL-UHFFFAOYSA-N
XLogP2.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 119525053
methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate
CID 38021237
methyl (2S)-2-[(1-phenylpyrazole-3-carbonyl)amino]propanoate
CID 87040358
ethane;1-phenylpyrazole-3-carboxylic acid
CID 177006873
3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid
CID 60988552
1-phenyl-N-prop-2-enylpyrazole-3-carboxamide
CID 60756667
N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide
CID 39954880
3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119211592
1-phenyl-N'-(2-phenylacetyl)pyrazole-3-carbohydrazide
CID 46450468
N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
CID 106843256
N-[4-(difluoromethoxy)phenyl]-1-phenylpyrazole-3-carboxamide
CID 47028819
4-methoxy-2-[(1-phenylpyrazole-3-carbonyl)amino]butanoic acid
CID 120702722

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole-3-carboxamide (CID 82723479) is N-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole-3-carboxamide is CC(C)(C)ONC(=O)c1ccn(-c2ccccc2)n1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole-3-carboxamide?
The InChIKey is DOYDBUJODFFWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(2,3)19-16-13(18)12-9-10-17(15-12)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,16,18).
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole-3-carboxamide?
N-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 82723479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).