N-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

C20H23FN4O — CID 30387025

IUPACN-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCCCN(CC)C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C20H23FN4O/c1-3-5-12-23(4-2)20(26)18-15-22-25(17-10-8-16(21)9-11-17)19(18)24-13-6-7-14-24/h6-11,13-15H,3-5,12H2,1-2H3
InChIKeyKXOJICWCPGQOTR-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.06
Rot. Bonds7

About N-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

N-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 30387025) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is N-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID30387025
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC NameN-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCCCN(CC)C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C20H23FN4O/c1-3-5-12-23(4-2)20(26)18-15-22-25(17-10-8-16(21)9-11-17)19(18)24-13-6-7-14-24/h6-11,13-15H,3-5,12H2,1-2H3
InChIKeyKXOJICWCPGQOTR-UHFFFAOYSA-N
XLogP4.06
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 30387025) is N-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is CCCCN(CC)C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1.
What is the InChIKey of N-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is KXOJICWCPGQOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-3-5-12-23(4-2)20(26)18-15-22-25(17-10-8-16(21)9-11-17)19(18)24-13-6-7-14-24/h6-11,13-15H,3-5,12H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 30387025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).