N-[2-(4,4-dimethylpentan-2-yl)phenyl]-5-fluoro-N,1,3-trimethylpyrazole-4-carboxamide

C20H28FN3O — CID 58838565

IUPACN-[2-(4,4-dimethylpentan-2-yl)phenyl]-5-fluoro-N,1,3-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(F)c1C(=O)N(C)c1ccccc1C(C)CC(C)(C)C
InChIInChI=1S/C20H28FN3O/c1-13(12-20(3,4)5)15-10-8-9-11-16(15)23(6)19(25)17-14(2)22-24(7)18(17)21/h8-11,13H,12H2,1-7H3
InChIKeyHYWYWQWGKLNNAL-UHFFFAOYSA-N
MW345.46 g/mol
LogP4.68
Rot. Bonds4

About N-[2-(4,4-dimethylpentan-2-yl)phenyl]-5-fluoro-N,1,3-trimethylpyrazole-4-carboxamide

N-[2-(4,4-dimethylpentan-2-yl)phenyl]-5-fluoro-N,1,3-trimethylpyrazole-4-carboxamide (PubChem CID 58838565) has the molecular formula C20H28FN3O and a molecular weight of 345.46 g/mol. Its IUPAC name is N-[2-(4,4-dimethylpentan-2-yl)phenyl]-5-fluoro-N,1,3-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4,4-dimethylpentan-2-yl)phenyl]-5-fluoro-N,1,3-trimethylpyrazole-4-carboxamide
PubChem CID58838565
Molecular FormulaC20H28FN3O
Molecular Weight345.46 g/mol
Exact Mass345.22
IUPAC NameN-[2-(4,4-dimethylpentan-2-yl)phenyl]-5-fluoro-N,1,3-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(F)c1C(=O)N(C)c1ccccc1C(C)CC(C)(C)C
InChIInChI=1S/C20H28FN3O/c1-13(12-20(3,4)5)15-10-8-9-11-16(15)23(6)19(25)17-14(2)22-24(7)18(17)21/h8-11,13H,12H2,1-7H3
InChIKeyHYWYWQWGKLNNAL-UHFFFAOYSA-N
XLogP4.68
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(4,4-dimethylpentan-2-yl)phenyl]-5-fluoro-N,1,3-trimethylpyrazole-4-carboxamide 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-[2-(4,4-dimethylpentan-2-yl)phenyl]-5-fluoro-N,1,3-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(4,4-dimethylpentan-2-yl)phenyl]-5-fluoro-N,1,3-trimethylpyrazole-4-carboxamide (CID 58838565) is N-[2-(4,4-dimethylpentan-2-yl)phenyl]-5-fluoro-N,1,3-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4,4-dimethylpentan-2-yl)phenyl]-5-fluoro-N,1,3-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4,4-dimethylpentan-2-yl)phenyl]-5-fluoro-N,1,3-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(F)c1C(=O)N(C)c1ccccc1C(C)CC(C)(C)C.
What is the InChIKey of N-[2-(4,4-dimethylpentan-2-yl)phenyl]-5-fluoro-N,1,3-trimethylpyrazole-4-carboxamide?
The InChIKey is HYWYWQWGKLNNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O/c1-13(12-20(3,4)5)15-10-8-9-11-16(15)23(6)19(25)17-14(2)22-24(7)18(17)21/h8-11,13H,12H2,1-7H3.
What are the key properties of N-[2-(4,4-dimethylpentan-2-yl)phenyl]-5-fluoro-N,1,3-trimethylpyrazole-4-carboxamide?
N-[2-(4,4-dimethylpentan-2-yl)phenyl]-5-fluoro-N,1,3-trimethylpyrazole-4-carboxamide has a molecular weight of 345.46 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethylpentan-2-yl)phenyl]-5-fluoro-N,1,3-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 58838565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).