N-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide

C14H17N3O2 — CID 94065165

IUPACN-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide
SMILESCOC[C@@H](C)NC(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H17N3O2/c1-11(10-19-2)16-14(18)12-4-6-13(7-5-12)17-9-3-8-15-17/h3-9,11H,10H2,1-2H3,(H,16,18)/t11-/m1/s1
InChIKeyJOQOJTNJGJIVAP-LLVKDONJSA-N
MW259.31 g/mol
LogP1.64
Rot. Bonds5

About N-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide

N-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide (PubChem CID 94065165) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide
PubChem CID94065165
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide
SMILESCOC[C@@H](C)NC(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H17N3O2/c1-11(10-19-2)16-14(18)12-4-6-13(7-5-12)17-9-3-8-15-17/h3-9,11H,10H2,1-2H3,(H,16,18)/t11-/m1/s1
InChIKeyJOQOJTNJGJIVAP-LLVKDONJSA-N
XLogP1.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide
CID 43418766
N-(1-methoxypropan-2-yl)-4-pyrrol-1-ylbenzamide
CID 18161077
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
methyl (2S)-3-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
CID 9277876
N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide
CID 65031869
propan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
CID 46637677
(2S)-4-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]butanoic acid
CID 107821874
propan-2-yl 3-(4-methoxyphenyl)-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
CID 24516785
propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate
CID 17497737
N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide
CID 18160782
4-(dimethylamino)-N-(1-methoxypropan-2-yl)benzamide
CID 2904147
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
CID 8938307

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide (CID 94065165) is N-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide is COC[C@@H](C)NC(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide?
The InChIKey is JOQOJTNJGJIVAP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11(10-19-2)16-14(18)12-4-6-13(7-5-12)17-9-3-8-15-17/h3-9,11H,10H2,1-2H3,(H,16,18)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide?
N-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide has a molecular weight of 259.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 94065165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).