5-butyl-1-cyclopropyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide

C19H23FN2O — CID 3791738

IUPAC5-butyl-1-cyclopropyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
SMILESCCCCc1c(-c2ccc(F)cc2)c(C(N)=O)c(C)n1C1CC1
InChIInChI=1S/C19H23FN2O/c1-3-4-5-16-18(13-6-8-14(20)9-7-13)17(19(21)23)12(2)22(16)15-10-11-15/h6-9,15H,3-5,10-11H2,1-2H3,(H2,21,23)
InChIKeyDKPDHDTYCDEOCS-UHFFFAOYSA-N
MW314.40 g/mol
LogP4.38
Rot. Bonds6

About 5-butyl-1-cyclopropyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide

5-butyl-1-cyclopropyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide (PubChem CID 3791738) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 5-butyl-1-cyclopropyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-butyl-1-cyclopropyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
PubChem CID3791738
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name5-butyl-1-cyclopropyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
SMILESCCCCc1c(-c2ccc(F)cc2)c(C(N)=O)c(C)n1C1CC1
InChIInChI=1S/C19H23FN2O/c1-3-4-5-16-18(13-6-8-14(20)9-7-13)17(19(21)23)12(2)22(16)15-10-11-15/h6-9,15H,3-5,10-11H2,1-2H3,(H2,21,23)
InChIKeyDKPDHDTYCDEOCS-UHFFFAOYSA-N
XLogP4.38
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-cyclopropyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide?
The IUPAC name of 5-butyl-1-cyclopropyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide (CID 3791738) is 5-butyl-1-cyclopropyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 5-butyl-1-cyclopropyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 5-butyl-1-cyclopropyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide is CCCCc1c(-c2ccc(F)cc2)c(C(N)=O)c(C)n1C1CC1.
What is the InChIKey of 5-butyl-1-cyclopropyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide?
The InChIKey is DKPDHDTYCDEOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-3-4-5-16-18(13-6-8-14(20)9-7-13)17(19(21)23)12(2)22(16)15-10-11-15/h6-9,15H,3-5,10-11H2,1-2H3,(H2,21,23).
What are the key properties of 5-butyl-1-cyclopropyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide?
5-butyl-1-cyclopropyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide has a molecular weight of 314.40 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-cyclopropyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 3791738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).