N-ethyl-N-(2-ethylbutyl)-4-fluoro-1H-pyrazole-5-carboxamide

C12H20FN3O — CID 126839095

IUPACN-ethyl-N-(2-ethylbutyl)-4-fluoro-1H-pyrazole-5-carboxamide
SMILESCCC(CC)CN(CC)C(=O)c1[nH]ncc1F
InChIInChI=1S/C12H20FN3O/c1-4-9(5-2)8-16(6-3)12(17)11-10(13)7-14-15-11/h7,9H,4-6,8H2,1-3H3,(H,14,15)
InChIKeyBGONCEOHKYVXSS-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.45
Rot. Bonds6

About N-ethyl-N-(2-ethylbutyl)-4-fluoro-1H-pyrazole-5-carboxamide

N-ethyl-N-(2-ethylbutyl)-4-fluoro-1H-pyrazole-5-carboxamide (PubChem CID 126839095) has the molecular formula C12H20FN3O and a molecular weight of 241.31 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylbutyl)-4-fluoro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylbutyl)-4-fluoro-1H-pyrazole-5-carboxamide
PubChem CID126839095
Molecular FormulaC12H20FN3O
Molecular Weight241.31 g/mol
Exact Mass241.16
IUPAC NameN-ethyl-N-(2-ethylbutyl)-4-fluoro-1H-pyrazole-5-carboxamide
SMILESCCC(CC)CN(CC)C(=O)c1[nH]ncc1F
InChIInChI=1S/C12H20FN3O/c1-4-9(5-2)8-16(6-3)12(17)11-10(13)7-14-15-11/h7,9H,4-6,8H2,1-3H3,(H,14,15)
InChIKeyBGONCEOHKYVXSS-UHFFFAOYSA-N
XLogP2.45
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-N-(2-ethylbutyl)-4-fluoro-1H-pyrazole-5-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-ethyl-N-(2-ethylbutyl)-4-fluoro-1H-pyrazole-5-carboxamide?
The IUPAC name of N-ethyl-N-(2-ethylbutyl)-4-fluoro-1H-pyrazole-5-carboxamide (CID 126839095) is N-ethyl-N-(2-ethylbutyl)-4-fluoro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-ethylbutyl)-4-fluoro-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-(2-ethylbutyl)-4-fluoro-1H-pyrazole-5-carboxamide is CCC(CC)CN(CC)C(=O)c1[nH]ncc1F.
What is the InChIKey of N-ethyl-N-(2-ethylbutyl)-4-fluoro-1H-pyrazole-5-carboxamide?
The InChIKey is BGONCEOHKYVXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O/c1-4-9(5-2)8-16(6-3)12(17)11-10(13)7-14-15-11/h7,9H,4-6,8H2,1-3H3,(H,14,15).
What are the key properties of N-ethyl-N-(2-ethylbutyl)-4-fluoro-1H-pyrazole-5-carboxamide?
N-ethyl-N-(2-ethylbutyl)-4-fluoro-1H-pyrazole-5-carboxamide has a molecular weight of 241.31 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylbutyl)-4-fluoro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 126839095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).