2-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-4-yl)benzamide

C14H17N3O2 — CID 110473881

IUPAC2-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-4-yl)benzamide
SMILESCC(C)(C)Oc1ccccc1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C14H17N3O2/c1-14(2,3)19-12-7-5-4-6-11(12)13(18)17-10-8-15-16-9-10/h4-9H,1-3H3,(H,15,16)(H,17,18)
InChIKeyNTXHIFDAPDXPPF-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.84
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-4-yl)benzamide

2-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-4-yl)benzamide (PubChem CID 110473881) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-4-yl)benzamide
PubChem CID110473881
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-4-yl)benzamide
SMILESCC(C)(C)Oc1ccccc1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C14H17N3O2/c1-14(2,3)19-12-7-5-4-6-11(12)13(18)17-10-8-15-16-9-10/h4-9H,1-3H3,(H,15,16)(H,17,18)
InChIKeyNTXHIFDAPDXPPF-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-N-(1H-pyrazol-4-yl)benzamide
CID 43429728
3-methoxy-N-(1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 105063971
2-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-2-yl)benzamide
CID 110464702
4-(methylamino)-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 81242635
2-methyl-4-phenoxy-N-(1H-pyrazol-4-yl)benzamide
CID 167795680
2-[(2-methylpropan-2-yl)oxy]benzamide
CID 23204949
carbonic acid;2-[(2-methylpropan-2-yl)oxy]benzoic acid
CID 137455638
2-bromo-N-(1H-pyrazol-4-yl)furan-3-carboxamide
CID 106852624
2-oxo-6-phenyl-N-(1H-pyrazol-4-yl)-1H-pyridine-3-carboxamide
CID 60506694
2-bromo-5-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 80980041
4-chloro-6-methyl-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 81225722
6-chloro-N-(1H-pyrazol-4-yl)pyridazine-3-carboxamide
CID 60859843

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-4-yl)benzamide (CID 110473881) is 2-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-4-yl)benzamide is CC(C)(C)Oc1ccccc1C(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-4-yl)benzamide?
The InChIKey is NTXHIFDAPDXPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(2,3)19-12-7-5-4-6-11(12)13(18)17-10-8-15-16-9-10/h4-9H,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-4-yl)benzamide?
2-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-4-yl)benzamide has a molecular weight of 259.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 110473881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).