N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide

C15H19N3O — CID 110486270

IUPACN-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(-c2cccc(C(=O)NC(C)(C)C)c2)cn1
InChIInChI=1S/C15H19N3O/c1-15(2,3)17-14(19)12-7-5-6-11(8-12)13-9-16-18(4)10-13/h5-10H,1-4H3,(H,17,19)
InChIKeyHSSMEFFBCAKFQY-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.62
Rot. Bonds2

About N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide

N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide (PubChem CID 110486270) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide
PubChem CID110486270
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(-c2cccc(C(=O)NC(C)(C)C)c2)cn1
InChIInChI=1S/C15H19N3O/c1-15(2,3)17-14(19)12-7-5-6-11(8-12)13-9-16-18(4)10-13/h5-10H,1-4H3,(H,17,19)
InChIKeyHSSMEFFBCAKFQY-UHFFFAOYSA-N
XLogP2.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-3-(1-methylpyrazol-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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide (CID 110486270) is N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide is Cn1cc(-c2cccc(C(=O)NC(C)(C)C)c2)cn1.
What is the InChIKey of N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is HSSMEFFBCAKFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2,3)17-14(19)12-7-5-6-11(8-12)13-9-16-18(4)10-13/h5-10H,1-4H3,(H,17,19).
What are the key properties of N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide?
N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 257.34 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 110486270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).