N-(2-imidazol-1-ylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide

C16H17N5O2 — CID 110205119

IUPACN-(2-imidazol-1-ylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide
SMILESCOc1ccc(C(=O)NCCn2ccnc2)cc1-n1cccn1
InChIInChI=1S/C16H17N5O2/c1-23-15-4-3-13(11-14(15)21-8-2-5-19-21)16(22)18-7-10-20-9-6-17-12-20/h2-6,8-9,11-12H,7,10H2,1H3,(H,18,22)
InChIKeyNTMMXNLCACPDOS-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.51
Rot. Bonds6

About N-(2-imidazol-1-ylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide

N-(2-imidazol-1-ylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide (PubChem CID 110205119) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide
PubChem CID110205119
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN-(2-imidazol-1-ylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide
SMILESCOc1ccc(C(=O)NCCn2ccnc2)cc1-n1cccn1
InChIInChI=1S/C16H17N5O2/c1-23-15-4-3-13(11-14(15)21-8-2-5-19-21)16(22)18-7-10-20-9-6-17-12-20/h2-6,8-9,11-12H,7,10H2,1H3,(H,18,22)
InChIKeyNTMMXNLCACPDOS-UHFFFAOYSA-N
XLogP1.51
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybenzamide
CID 104782700
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-phenylbenzamide
CID 49487480
4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 104782388
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-prop-2-enylbenzamide
CID 21173424
4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 51155757
3,4-dimethoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
CID 90538642
3,4-dimethoxy-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716250
4-bromo-N-(2-imidazol-1-ylethyl)-3-methylbenzamide
CID 112705775
N-(2-imidazol-1-ylethyl)-3-methyl-4-(methylamino)benzamide
CID 63213649
4-chloro-N-(2-imidazol-1-ylethyl)benzamide
CID 47019718
N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide
CID 91639884
2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
CID 81420626

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide (CID 110205119) is N-(2-imidazol-1-ylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide is COc1ccc(C(=O)NCCn2ccnc2)cc1-n1cccn1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide?
The InChIKey is NTMMXNLCACPDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-23-15-4-3-13(11-14(15)21-8-2-5-19-21)16(22)18-7-10-20-9-6-17-12-20/h2-6,8-9,11-12H,7,10H2,1H3,(H,18,22).
What are the key properties of N-(2-imidazol-1-ylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide?
N-(2-imidazol-1-ylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide has a molecular weight of 311.35 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 110205119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).