N-methyl-3-(1H-pyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)benzamide

C16H17N5O — CID 74233483

IUPACN-methyl-3-(1H-pyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)benzamide
SMILESCN(CCn1cccn1)C(=O)c1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C16H17N5O/c1-20(8-9-21-7-3-6-19-21)16(22)14-5-2-4-13(10-14)15-11-17-18-12-15/h2-7,10-12H,8-9H2,1H3,(H,17,18)
InChIKeyXJXVGZYCMREZOT-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.05
Rot. Bonds5

About N-methyl-3-(1H-pyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)benzamide

N-methyl-3-(1H-pyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)benzamide (PubChem CID 74233483) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-methyl-3-(1H-pyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)benzamide.

Molecular Properties

Compound NameN-methyl-3-(1H-pyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)benzamide
PubChem CID74233483
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-methyl-3-(1H-pyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)benzamide
SMILESCN(CCn1cccn1)C(=O)c1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C16H17N5O/c1-20(8-9-21-7-3-6-19-21)16(22)14-5-2-4-13(10-14)15-11-17-18-12-15/h2-7,10-12H,8-9H2,1H3,(H,17,18)
InChIKeyXJXVGZYCMREZOT-UHFFFAOYSA-N
XLogP2.05
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1H-pyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)benzamide?
The IUPAC name of N-methyl-3-(1H-pyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)benzamide (CID 74233483) is N-methyl-3-(1H-pyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)benzamide.
What is the SMILES notation for N-methyl-3-(1H-pyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)benzamide?
The canonical SMILES for N-methyl-3-(1H-pyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)benzamide is CN(CCn1cccn1)C(=O)c1cccc(-c2cn[nH]c2)c1.
What is the InChIKey of N-methyl-3-(1H-pyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)benzamide?
The InChIKey is XJXVGZYCMREZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-20(8-9-21-7-3-6-19-21)16(22)14-5-2-4-13(10-14)15-11-17-18-12-15/h2-7,10-12H,8-9H2,1H3,(H,17,18).
What are the key properties of N-methyl-3-(1H-pyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)benzamide?
N-methyl-3-(1H-pyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)benzamide has a molecular weight of 295.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1H-pyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)benzamide is sourced from PubChem (CID 74233483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).