N-(2-hydroxy-2,3-dimethylpentyl)-4-(4-methylpyrazol-1-yl)benzamide

C18H25N3O2 — CID 111446448

IUPACN-(2-hydroxy-2,3-dimethylpentyl)-4-(4-methylpyrazol-1-yl)benzamide
SMILESCCC(C)C(C)(O)CNC(=O)c1ccc(-n2cc(C)cn2)cc1
InChIInChI=1S/C18H25N3O2/c1-5-14(3)18(4,23)12-19-17(22)15-6-8-16(9-7-15)21-11-13(2)10-20-21/h6-11,14,23H,5,12H2,1-4H3,(H,19,22)
InChIKeyPCOBVECLVVGMKZ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.71
Rot. Bonds6

About N-(2-hydroxy-2,3-dimethylpentyl)-4-(4-methylpyrazol-1-yl)benzamide

N-(2-hydroxy-2,3-dimethylpentyl)-4-(4-methylpyrazol-1-yl)benzamide (PubChem CID 111446448) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylpentyl)-4-(4-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylpentyl)-4-(4-methylpyrazol-1-yl)benzamide
PubChem CID111446448
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(2-hydroxy-2,3-dimethylpentyl)-4-(4-methylpyrazol-1-yl)benzamide
SMILESCCC(C)C(C)(O)CNC(=O)c1ccc(-n2cc(C)cn2)cc1
InChIInChI=1S/C18H25N3O2/c1-5-14(3)18(4,23)12-19-17(22)15-6-8-16(9-7-15)21-11-13(2)10-20-21/h6-11,14,23H,5,12H2,1-4H3,(H,19,22)
InChIKeyPCOBVECLVVGMKZ-UHFFFAOYSA-N
XLogP2.71
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2,3-dimethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide
CID 111484297
N-(2-amino-2-ethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride
CID 119641088
4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111463618
4-formyl-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
CID 111463682
4-(4-ethylpiperazin-1-yl)-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
CID 111477879
N-(2-hydroxy-2,3-dimethylpentyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 111463582
N-(2-methylpropyl)-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzamide
CID 55772351
N-[3-(aminomethyl)pentan-3-yl]-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride
CID 119569798
N-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide
CID 111446501
N-(1-amino-4-methylpentan-2-yl)-4-(4-methylpyrazol-1-yl)benzamide
CID 119586560
5-bromo-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide
CID 97317759
N-[2-(cycloheptylamino)ethyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 119619945

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-4-(4-methylpyrazol-1-yl)benzamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-4-(4-methylpyrazol-1-yl)benzamide (CID 111446448) is N-(2-hydroxy-2,3-dimethylpentyl)-4-(4-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylpentyl)-4-(4-methylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylpentyl)-4-(4-methylpyrazol-1-yl)benzamide is CCC(C)C(C)(O)CNC(=O)c1ccc(-n2cc(C)cn2)cc1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylpentyl)-4-(4-methylpyrazol-1-yl)benzamide?
The InChIKey is PCOBVECLVVGMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-5-14(3)18(4,23)12-19-17(22)15-6-8-16(9-7-15)21-11-13(2)10-20-21/h6-11,14,23H,5,12H2,1-4H3,(H,19,22).
What are the key properties of N-(2-hydroxy-2,3-dimethylpentyl)-4-(4-methylpyrazol-1-yl)benzamide?
N-(2-hydroxy-2,3-dimethylpentyl)-4-(4-methylpyrazol-1-yl)benzamide has a molecular weight of 315.42 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylpentyl)-4-(4-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 111446448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).