[5-[3-[[1-methyl-3-[2-(trifluoromethoxy)ethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

C20H25F3N6O5 — CID 164879366

IUPAC[5-[3-[[1-methyl-3-[2-(trifluoromethoxy)ethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCn1nc(CCOC(F)(F)F)cc1C(=O)Nc1cc(C2CC(OC(=O)NC3(C)CC3)CO2)[nH]n1
InChIInChI=1S/C20H25F3N6O5/c1-19(4-5-19)25-18(31)34-12-8-15(32-10-12)13-9-16(27-26-13)24-17(30)14-7-11(28-29(14)2)3-6-33-20(21,22)23/h7,9,12,15H,3-6,8,10H2,1-2H3,(H,25,31)(H2,24,26,27,30)
InChIKeyIWFNYMDITBHDHI-UHFFFAOYSA-N
MW486.45 g/mol
LogP2.58
Rot. Bonds8

About [5-[3-[[1-methyl-3-[2-(trifluoromethoxy)ethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

[5-[3-[[1-methyl-3-[2-(trifluoromethoxy)ethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 164879366) has the molecular formula C20H25F3N6O5 and a molecular weight of 486.45 g/mol. Its IUPAC name is [5-[3-[[1-methyl-3-[2-(trifluoromethoxy)ethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[5-[3-[[1-methyl-3-[2-(trifluoromethoxy)ethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
PubChem CID164879366
Molecular FormulaC20H25F3N6O5
Molecular Weight486.45 g/mol
Exact Mass486.18
IUPAC Name[5-[3-[[1-methyl-3-[2-(trifluoromethoxy)ethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCn1nc(CCOC(F)(F)F)cc1C(=O)Nc1cc(C2CC(OC(=O)NC3(C)CC3)CO2)[nH]n1
InChIInChI=1S/C20H25F3N6O5/c1-19(4-5-19)25-18(31)34-12-8-15(32-10-12)13-9-16(27-26-13)24-17(30)14-7-11(28-29(14)2)3-6-33-20(21,22)23/h7,9,12,15H,3-6,8,10H2,1-2H3,(H,25,31)(H2,24,26,27,30)
InChIKeyIWFNYMDITBHDHI-UHFFFAOYSA-N
XLogP2.58
TPSA132.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.45
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [5-[3-[[1-methyl-3-[2-(trifluoromethoxy)ethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate 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 [5-[3-[[1-methyl-3-[2-(trifluoromethoxy)ethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [5-[3-[[1-methyl-3-[2-(trifluoromethoxy)ethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 164879366) is [5-[3-[[1-methyl-3-[2-(trifluoromethoxy)ethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [5-[3-[[1-methyl-3-[2-(trifluoromethoxy)ethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [5-[3-[[1-methyl-3-[2-(trifluoromethoxy)ethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is Cn1nc(CCOC(F)(F)F)cc1C(=O)Nc1cc(C2CC(OC(=O)NC3(C)CC3)CO2)[nH]n1.
What is the InChIKey of [5-[3-[[1-methyl-3-[2-(trifluoromethoxy)ethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is IWFNYMDITBHDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N6O5/c1-19(4-5-19)25-18(31)34-12-8-15(32-10-12)13-9-16(27-26-13)24-17(30)14-7-11(28-29(14)2)3-6-33-20(21,22)23/h7,9,12,15H,3-6,8,10H2,1-2H3,(H,25,31)(H2,24,26,27,30).
What are the key properties of [5-[3-[[1-methyl-3-[2-(trifluoromethoxy)ethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
[5-[3-[[1-methyl-3-[2-(trifluoromethoxy)ethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 486.45 g/mol, XLogP of 2.58, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-[[1-methyl-3-[2-(trifluoromethoxy)ethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 164879366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).