4-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide

C20H19F4N5O — CID 164610500

IUPAC4-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCc1c(C2(c3ccc(C(F)(F)F)cc3F)CC2)c[nH]c1C(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C20H19F4N5O/c1-10-14(8-25-16(10)18(30)28-11(2)17-26-9-27-29-17)19(5-6-19)13-4-3-12(7-15(13)21)20(22,23)24/h3-4,7-9,11,25H,5-6H2,1-2H3,(H,28,30)(H,26,27,29)
InChIKeyFRSKUEHUZBYXMA-UHFFFAOYSA-N
MW421.40 g/mol
LogP4.17
Rot. Bonds5

About 4-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide

4-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 164610500) has the molecular formula C20H19F4N5O and a molecular weight of 421.40 g/mol. Its IUPAC name is 4-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID164610500
Molecular FormulaC20H19F4N5O
Molecular Weight421.40 g/mol
Exact Mass421.15
IUPAC Name4-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCc1c(C2(c3ccc(C(F)(F)F)cc3F)CC2)c[nH]c1C(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C20H19F4N5O/c1-10-14(8-25-16(10)18(30)28-11(2)17-26-9-27-29-17)19(5-6-19)13-4-3-12(7-15(13)21)20(22,23)24/h3-4,7-9,11,25H,5-6H2,1-2H3,(H,28,30)(H,26,27,29)
InChIKeyFRSKUEHUZBYXMA-UHFFFAOYSA-N
XLogP4.17
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.40
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-2-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 4-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide (CID 164610500) is 4-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide is Cc1c(C2(c3ccc(C(F)(F)F)cc3F)CC2)c[nH]c1C(=O)NC(C)c1ncn[nH]1.
What is the InChIKey of 4-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is FRSKUEHUZBYXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N5O/c1-10-14(8-25-16(10)18(30)28-11(2)17-26-9-27-29-17)19(5-6-19)13-4-3-12(7-15(13)21)20(22,23)24/h3-4,7-9,11,25H,5-6H2,1-2H3,(H,28,30)(H,26,27,29).
What are the key properties of 4-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide?
4-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 421.40 g/mol, XLogP of 4.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 164610500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).