N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide

C15H19N3O — CID 7444930

IUPACN-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
SMILESCc1cc(C)n([C@@H](C)CNC(=O)c2ccccc2)n1
InChIInChI=1S/C15H19N3O/c1-11-9-12(2)18(17-11)13(3)10-16-15(19)14-7-5-4-6-8-14/h4-9,13H,10H2,1-3H3,(H,16,19)/t13-/m0/s1
InChIKeyPFXYCBZMKVXPSB-ZDUSSCGKSA-N
MW257.34 g/mol
LogP2.49
Rot. Bonds4

About N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide

N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide (PubChem CID 7444930) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
PubChem CID7444930
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
SMILESCc1cc(C)n([C@@H](C)CNC(=O)c2ccccc2)n1
InChIInChI=1S/C15H19N3O/c1-11-9-12(2)18(17-11)13(3)10-16-15(19)14-7-5-4-6-8-14/h4-9,13H,10H2,1-3H3,(H,16,19)/t13-/m0/s1
InChIKeyPFXYCBZMKVXPSB-ZDUSSCGKSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(methylamino)pyridine-4-carboxamide
CID 92603054
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50974491
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 72873095
N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 95120648
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 95123695
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 74237864
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-4-propan-2-yloxybenzamide
CID 122244345
6-chloro-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylindole-2-carboxamide
CID 99949687
ethyl 4-[[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]carbamoylamino]benzoate
CID 125179536
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-pyridin-4-ylpropanamide
CID 74234825
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 74246934
N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 97149577

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
The IUPAC name of N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide (CID 7444930) is N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide.
What is the SMILES notation for N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
The canonical SMILES for N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide is Cc1cc(C)n([C@@H](C)CNC(=O)c2ccccc2)n1.
What is the InChIKey of N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
The InChIKey is PFXYCBZMKVXPSB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-9-12(2)18(17-11)13(3)10-16-15(19)14-7-5-4-6-8-14/h4-9,13H,10H2,1-3H3,(H,16,19)/t13-/m0/s1.
What are the key properties of N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide has a molecular weight of 257.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide is sourced from PubChem (CID 7444930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).