N-ethyl-4-(1H-pyrazol-4-yl)benzamide

C12H13N3O — CID 110464248

IUPACN-ethyl-4-(1H-pyrazol-4-yl)benzamide
SMILESCCNC(=O)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C12H13N3O/c1-2-13-12(16)10-5-3-9(4-6-10)11-7-14-15-8-11/h3-8H,2H2,1H3,(H,13,16)(H,14,15)
InChIKeyUPBKGDGNVOGHLF-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.83
Rot. Bonds3

About N-ethyl-4-(1H-pyrazol-4-yl)benzamide

N-ethyl-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 110464248) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-ethyl-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-(1H-pyrazol-4-yl)benzamide
PubChem CID110464248
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-ethyl-4-(1H-pyrazol-4-yl)benzamide
SMILESCCNC(=O)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C12H13N3O/c1-2-13-12(16)10-5-3-9(4-6-10)11-7-14-15-8-11/h3-8H,2H2,1H3,(H,13,16)(H,14,15)
InChIKeyUPBKGDGNVOGHLF-UHFFFAOYSA-N
XLogP1.83
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-ethyl-4-(1H-pyrazol-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-oxoethyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110473761
N-tert-butyl-4-(1H-pyrazol-4-yl)benzamide
CID 110464260
ethyl 4-(1H-pyrazol-4-yl)benzoate
CID 121435985
N-(4-methylphenyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110464321
methyl 2-[methyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]acetate
CID 110464313
4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736168
N,N-bis(prop-2-enyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110464293
N-(3-hydroxy-2-pyridinyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110464333
4-(1H-pyrazol-4-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 110464300
N-ethyl-4-trimethylstannylbenzamide
CID 163615316
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)benzamide
CID 139014543
N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-4-(1H-pyrazol-4-yl)benzamide
CID 154877114

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-ethyl-4-(1H-pyrazol-4-yl)benzamide (CID 110464248) is N-ethyl-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-ethyl-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-ethyl-4-(1H-pyrazol-4-yl)benzamide is CCNC(=O)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of N-ethyl-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is UPBKGDGNVOGHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-13-12(16)10-5-3-9(4-6-10)11-7-14-15-8-11/h3-8H,2H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-ethyl-4-(1H-pyrazol-4-yl)benzamide?
N-ethyl-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 215.26 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 110464248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).