4-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide

C13H15N3O — CID 110731764

IUPAC4-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2ccn[nH]2)cc1
InChIInChI=1S/C13H15N3O/c1-10-2-4-11(5-3-10)13(17)14-8-6-12-7-9-15-16-12/h2-5,7,9H,6,8H2,1H3,(H,14,17)(H,15,16)
InChIKeySDPBQBSSJGRZFQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.69
Rot. Bonds4

About 4-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide

4-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide (PubChem CID 110731764) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide
PubChem CID110731764
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2ccn[nH]2)cc1
InChIInChI=1S/C13H15N3O/c1-10-2-4-11(5-3-10)13(17)14-8-6-12-7-9-15-16-12/h2-5,7,9H,6,8H2,1H3,(H,14,17)(H,15,16)
InChIKeySDPBQBSSJGRZFQ-UHFFFAOYSA-N
XLogP1.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide
CID 110731802
2-ethyl-N-[2-(1H-pyrazol-5-yl)ethyl]butanamide
CID 110731759
N-[2-(1H-pyrazol-5-yl)ethyl]pyridine-2-carboxamide
CID 110745166
4-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 47204233
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-(4-oxopentyl)benzamide
CID 86117000
4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 53008569
4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537604
4-(2,2-dimethylpropyl)-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 137435463
N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide
CID 15462667

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide (CID 110731764) is 4-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide is Cc1ccc(C(=O)NCCc2ccn[nH]2)cc1.
What is the InChIKey of 4-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide?
The InChIKey is SDPBQBSSJGRZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-2-4-11(5-3-10)13(17)14-8-6-12-7-9-15-16-12/h2-5,7,9H,6,8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 4-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide?
4-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide has a molecular weight of 229.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 110731764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).