N-(2-methyl-3-pyrazol-1-ylpropyl)-2-pyrazol-1-ylbenzamide

C17H19N5O — CID 86824371

IUPACN-(2-methyl-3-pyrazol-1-ylpropyl)-2-pyrazol-1-ylbenzamide
SMILESCC(CNC(=O)c1ccccc1-n1cccn1)Cn1cccn1
InChIInChI=1S/C17H19N5O/c1-14(13-21-10-4-8-19-21)12-18-17(23)15-6-2-3-7-16(15)22-11-5-9-20-22/h2-11,14H,12-13H2,1H3,(H,18,23)
InChIKeyQKUDAKDYHUIXGT-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.13
Rot. Bonds6

About N-(2-methyl-3-pyrazol-1-ylpropyl)-2-pyrazol-1-ylbenzamide

N-(2-methyl-3-pyrazol-1-ylpropyl)-2-pyrazol-1-ylbenzamide (PubChem CID 86824371) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(2-methyl-3-pyrazol-1-ylpropyl)-2-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-methyl-3-pyrazol-1-ylpropyl)-2-pyrazol-1-ylbenzamide
PubChem CID86824371
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-(2-methyl-3-pyrazol-1-ylpropyl)-2-pyrazol-1-ylbenzamide
SMILESCC(CNC(=O)c1ccccc1-n1cccn1)Cn1cccn1
InChIInChI=1S/C17H19N5O/c1-14(13-21-10-4-8-19-21)12-18-17(23)15-6-2-3-7-16(15)22-11-5-9-20-22/h2-11,14H,12-13H2,1H3,(H,18,23)
InChIKeyQKUDAKDYHUIXGT-UHFFFAOYSA-N
XLogP2.13
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-anilinopropyl]-2-pyrazol-1-ylbenzamide
CID 95787834
N-hexyl-2-pyrazol-1-ylbenzamide
CID 47213393
6-(furan-2-yl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95977420
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-(2-methyl-3-pyrazol-1-ylpropyl)benzamide
CID 86846279
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbenzamide
CID 131928417
N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-5-carboxamide
CID 100755134
1-(4-methylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]triazole-4-carboxamide
CID 94811626
N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 129379800
N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 129379799
N-(2-methyl-3-pyrazol-1-ylpropyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 55734148
N-(2-methyl-3-pyrazol-1-ylpropyl)-6-phenoxypyridine-3-carboxamide
CID 87018896
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-pyrazol-1-ylbenzamide
CID 111663006

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrazol-1-ylpropyl)-2-pyrazol-1-ylbenzamide?
The IUPAC name of N-(2-methyl-3-pyrazol-1-ylpropyl)-2-pyrazol-1-ylbenzamide (CID 86824371) is N-(2-methyl-3-pyrazol-1-ylpropyl)-2-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-(2-methyl-3-pyrazol-1-ylpropyl)-2-pyrazol-1-ylbenzamide?
The canonical SMILES for N-(2-methyl-3-pyrazol-1-ylpropyl)-2-pyrazol-1-ylbenzamide is CC(CNC(=O)c1ccccc1-n1cccn1)Cn1cccn1.
What is the InChIKey of N-(2-methyl-3-pyrazol-1-ylpropyl)-2-pyrazol-1-ylbenzamide?
The InChIKey is QKUDAKDYHUIXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-14(13-21-10-4-8-19-21)12-18-17(23)15-6-2-3-7-16(15)22-11-5-9-20-22/h2-11,14H,12-13H2,1H3,(H,18,23).
What are the key properties of N-(2-methyl-3-pyrazol-1-ylpropyl)-2-pyrazol-1-ylbenzamide?
N-(2-methyl-3-pyrazol-1-ylpropyl)-2-pyrazol-1-ylbenzamide has a molecular weight of 309.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrazol-1-ylpropyl)-2-pyrazol-1-ylbenzamide is sourced from PubChem (CID 86824371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).