N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide

C15H19N3O — CID 110486267

IUPACN-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide
SMILESCC(C)CNC(=O)c1cccc(-c2cnn(C)c2)c1
InChIInChI=1S/C15H19N3O/c1-11(2)8-16-15(19)13-6-4-5-12(7-13)14-9-17-18(3)10-14/h4-7,9-11H,8H2,1-3H3,(H,16,19)
InChIKeyZCZUKAZVFYEZCJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.47
Rot. Bonds4

About N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide

N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide (PubChem CID 110486267) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide
PubChem CID110486267
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide
SMILESCC(C)CNC(=O)c1cccc(-c2cnn(C)c2)c1
InChIInChI=1S/C15H19N3O/c1-11(2)8-16-15(19)13-6-4-5-12(7-13)14-9-17-18(3)10-14/h4-7,9-11H,8H2,1-3H3,(H,16,19)
InChIKeyZCZUKAZVFYEZCJ-UHFFFAOYSA-N
XLogP2.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide
CID 110486270
3-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide
CID 119059594
3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide
CID 110486276
ethyl 4-[[(2S)-2-hydroxy-3-[[3-(1-methylpyrazol-4-yl)benzoyl]amino]propanoyl]amino]-2-methylimidazole-1-carboxylate
CID 168974654
N-(2-ethyl-2,5-dihydroxypentyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 119073913
N-(2-hydroxyethyl)-N-methyl-3-(1-methylpyrazol-4-yl)benzamide
CID 110486259
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 170510996
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-N-(2-methylpropyl)benzamide
CID 59388025
N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 90740732
N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-3-propan-2-ylfuran-2-carboxamide
CID 100757837
3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-propan-2-ylbenzamide
CID 59603987

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide (CID 110486267) is N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide is CC(C)CNC(=O)c1cccc(-c2cnn(C)c2)c1.
What is the InChIKey of N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is ZCZUKAZVFYEZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(2)8-16-15(19)13-6-4-5-12(7-13)14-9-17-18(3)10-14/h4-7,9-11H,8H2,1-3H3,(H,16,19).
What are the key properties of N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide?
N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 257.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 110486267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).