1-tert-butyl-5-[[5-ethoxy-4-(trifluoromethyl)-3-pyridinyl]oxy]-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide;cyclopentane;formaldehyde

C30H40F3N5O4 — CID 142394835

IUPAC1-tert-butyl-5-[[5-ethoxy-4-(trifluoromethyl)-3-pyridinyl]oxy]-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide;cyclopentane;formaldehyde
SMILESC1CCCC1.C=O.CCOc1cncc(Oc2c(C)c(C(=O)NCc3ccc(C)cn3)nn2C(C)(C)C)c1C(F)(F)F
InChIInChI=1S/C24H28F3N5O3.C5H10.CH2O/c1-7-34-17-12-28-13-18(19(17)24(25,26)27)35-22-15(3)20(31-32(22)23(4,5)6)21(33)30-11-16-9-8-14(2)10-29-16;1-2-4-5-3-1;1-2/h8-10,12-13H,7,11H2,1-6H3,(H,30,33);1-5H2;1H2
InChIKeyMKWWYMFXUBGFDR-UHFFFAOYSA-N
MW591.68 g/mol
LogP6.95
Rot. Bonds7

About 1-tert-butyl-5-[[5-ethoxy-4-(trifluoromethyl)-3-pyridinyl]oxy]-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide;cyclopentane;formaldehyde

1-tert-butyl-5-[[5-ethoxy-4-(trifluoromethyl)-3-pyridinyl]oxy]-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide;cyclopentane;formaldehyde (PubChem CID 142394835) has the molecular formula C30H40F3N5O4 and a molecular weight of 591.68 g/mol. Its IUPAC name is 1-tert-butyl-5-[[5-ethoxy-4-(trifluoromethyl)-3-pyridinyl]oxy]-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide;cyclopentane;formaldehyde.

Molecular Properties

Compound Name1-tert-butyl-5-[[5-ethoxy-4-(trifluoromethyl)-3-pyridinyl]oxy]-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide;cyclopentane;formaldehyde
PubChem CID142394835
Molecular FormulaC30H40F3N5O4
Molecular Weight591.68 g/mol
Exact Mass591.30
IUPAC Name1-tert-butyl-5-[[5-ethoxy-4-(trifluoromethyl)-3-pyridinyl]oxy]-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide;cyclopentane;formaldehyde
SMILESC1CCCC1.C=O.CCOc1cncc(Oc2c(C)c(C(=O)NCc3ccc(C)cn3)nn2C(C)(C)C)c1C(F)(F)F
InChIInChI=1S/C24H28F3N5O3.C5H10.CH2O/c1-7-34-17-12-28-13-18(19(17)24(25,26)27)35-22-15(3)20(31-32(22)23(4,5)6)21(33)30-11-16-9-8-14(2)10-29-16;1-2-4-5-3-1;1-2/h8-10,12-13H,7,11H2,1-6H3,(H,30,33);1-5H2;1H2
InChIKeyMKWWYMFXUBGFDR-UHFFFAOYSA-N
XLogP6.95
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.68
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-tert-butyl-5-[[5-ethoxy-4-(trifluoromethyl)-3-pyridinyl]oxy]-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide;cyclopentane;formaldehyde 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 1-tert-butyl-5-[[5-ethoxy-4-(trifluoromethyl)-3-pyridinyl]oxy]-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide;cyclopentane;formaldehyde?
The IUPAC name of 1-tert-butyl-5-[[5-ethoxy-4-(trifluoromethyl)-3-pyridinyl]oxy]-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide;cyclopentane;formaldehyde (CID 142394835) is 1-tert-butyl-5-[[5-ethoxy-4-(trifluoromethyl)-3-pyridinyl]oxy]-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide;cyclopentane;formaldehyde.
What is the SMILES notation for 1-tert-butyl-5-[[5-ethoxy-4-(trifluoromethyl)-3-pyridinyl]oxy]-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide;cyclopentane;formaldehyde?
The canonical SMILES for 1-tert-butyl-5-[[5-ethoxy-4-(trifluoromethyl)-3-pyridinyl]oxy]-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide;cyclopentane;formaldehyde is C1CCCC1.C=O.CCOc1cncc(Oc2c(C)c(C(=O)NCc3ccc(C)cn3)nn2C(C)(C)C)c1C(F)(F)F.
What is the InChIKey of 1-tert-butyl-5-[[5-ethoxy-4-(trifluoromethyl)-3-pyridinyl]oxy]-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide;cyclopentane;formaldehyde?
The InChIKey is MKWWYMFXUBGFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O3.C5H10.CH2O/c1-7-34-17-12-28-13-18(19(17)24(25,26)27)35-22-15(3)20(31-32(22)23(4,5)6)21(33)30-11-16-9-8-14(2)10-29-16;1-2-4-5-3-1;1-2/h8-10,12-13H,7,11H2,1-6H3,(H,30,33);1-5H2;1H2.
What are the key properties of 1-tert-butyl-5-[[5-ethoxy-4-(trifluoromethyl)-3-pyridinyl]oxy]-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide;cyclopentane;formaldehyde?
1-tert-butyl-5-[[5-ethoxy-4-(trifluoromethyl)-3-pyridinyl]oxy]-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide;cyclopentane;formaldehyde has a molecular weight of 591.68 g/mol, XLogP of 6.95, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-[[5-ethoxy-4-(trifluoromethyl)-3-pyridinyl]oxy]-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide;cyclopentane;formaldehyde is sourced from PubChem (CID 142394835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).