4-(1-cyclopropylpyrazol-3-yl)-5-(2H-tetrazol-5-yl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-6-one

C23H21F6N7O2 — CID 130453109

IUPAC4-(1-cyclopropylpyrazol-3-yl)-5-(2H-tetrazol-5-yl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-6-one
SMILESO=C1NC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)CC(c2ccn(C3CC3)n2)=C1c1nn[nH]n1
InChIInChI=1S/C23H21F6N7O2/c24-22(25,26)9-1-11-38-15-6-2-13(3-7-15)21(23(27,28)29)12-16(17-8-10-36(33-17)14-4-5-14)18(20(37)30-21)19-31-34-35-32-19/h2-3,6-8,10,14H,1,4-5,9,11-12H2,(H,30,37)(H,31,32,34,35)
InChIKeyHMTGXTSGBKZIOL-UHFFFAOYSA-N
MW541.46 g/mol
LogP4.34
Rot. Bonds8

About 4-(1-cyclopropylpyrazol-3-yl)-5-(2H-tetrazol-5-yl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-6-one

4-(1-cyclopropylpyrazol-3-yl)-5-(2H-tetrazol-5-yl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-6-one (PubChem CID 130453109) has the molecular formula C23H21F6N7O2 and a molecular weight of 541.46 g/mol. Its IUPAC name is 4-(1-cyclopropylpyrazol-3-yl)-5-(2H-tetrazol-5-yl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-6-one.

Molecular Properties

Compound Name4-(1-cyclopropylpyrazol-3-yl)-5-(2H-tetrazol-5-yl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-6-one
PubChem CID130453109
Molecular FormulaC23H21F6N7O2
Molecular Weight541.46 g/mol
Exact Mass541.17
IUPAC Name4-(1-cyclopropylpyrazol-3-yl)-5-(2H-tetrazol-5-yl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-6-one
SMILESO=C1NC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)CC(c2ccn(C3CC3)n2)=C1c1nn[nH]n1
InChIInChI=1S/C23H21F6N7O2/c24-22(25,26)9-1-11-38-15-6-2-13(3-7-15)21(23(27,28)29)12-16(17-8-10-36(33-17)14-4-5-14)18(20(37)30-21)19-31-34-35-32-19/h2-3,6-8,10,14H,1,4-5,9,11-12H2,(H,30,37)(H,31,32,34,35)
InChIKeyHMTGXTSGBKZIOL-UHFFFAOYSA-N
XLogP4.34
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(1-cyclopropylpyrazol-3-yl)-5-(2H-tetrazol-5-yl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-6-one 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-cyclopropylpyrazol-3-yl)-5-(2H-tetrazol-5-yl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-6-one?
The IUPAC name of 4-(1-cyclopropylpyrazol-3-yl)-5-(2H-tetrazol-5-yl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-6-one (CID 130453109) is 4-(1-cyclopropylpyrazol-3-yl)-5-(2H-tetrazol-5-yl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-6-one.
What is the SMILES notation for 4-(1-cyclopropylpyrazol-3-yl)-5-(2H-tetrazol-5-yl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-6-one?
The canonical SMILES for 4-(1-cyclopropylpyrazol-3-yl)-5-(2H-tetrazol-5-yl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-6-one is O=C1NC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)CC(c2ccn(C3CC3)n2)=C1c1nn[nH]n1.
What is the InChIKey of 4-(1-cyclopropylpyrazol-3-yl)-5-(2H-tetrazol-5-yl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-6-one?
The InChIKey is HMTGXTSGBKZIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F6N7O2/c24-22(25,26)9-1-11-38-15-6-2-13(3-7-15)21(23(27,28)29)12-16(17-8-10-36(33-17)14-4-5-14)18(20(37)30-21)19-31-34-35-32-19/h2-3,6-8,10,14H,1,4-5,9,11-12H2,(H,30,37)(H,31,32,34,35).
What are the key properties of 4-(1-cyclopropylpyrazol-3-yl)-5-(2H-tetrazol-5-yl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-6-one?
4-(1-cyclopropylpyrazol-3-yl)-5-(2H-tetrazol-5-yl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-6-one has a molecular weight of 541.46 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylpyrazol-3-yl)-5-(2H-tetrazol-5-yl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-6-one is sourced from PubChem (CID 130453109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).