N-[5-(3-methoxy-2,3-dihydrofuran-5-yl)-1H-pyrazol-3-yl]-1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide

C15H16F3N5O4 — CID 164880191

IUPACN-[5-(3-methoxy-2,3-dihydrofuran-5-yl)-1H-pyrazol-3-yl]-1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide
SMILESCOC1C=C(c2cc(NC(=O)c3cc(COC(F)(F)F)nn3C)n[nH]2)OC1
InChIInChI=1S/C15H16F3N5O4/c1-23-11(3-8(22-23)6-27-15(16,17)18)14(24)19-13-5-10(20-21-13)12-4-9(25-2)7-26-12/h3-5,9H,6-7H2,1-2H3,(H2,19,20,21,24)
InChIKeyQZSFZSYIWSVHLF-UHFFFAOYSA-N
MW387.32 g/mol
LogP1.82
Rot. Bonds6

About N-[5-(3-methoxy-2,3-dihydrofuran-5-yl)-1H-pyrazol-3-yl]-1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide

N-[5-(3-methoxy-2,3-dihydrofuran-5-yl)-1H-pyrazol-3-yl]-1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide (PubChem CID 164880191) has the molecular formula C15H16F3N5O4 and a molecular weight of 387.32 g/mol. Its IUPAC name is N-[5-(3-methoxy-2,3-dihydrofuran-5-yl)-1H-pyrazol-3-yl]-1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(3-methoxy-2,3-dihydrofuran-5-yl)-1H-pyrazol-3-yl]-1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide
PubChem CID164880191
Molecular FormulaC15H16F3N5O4
Molecular Weight387.32 g/mol
Exact Mass387.12
IUPAC NameN-[5-(3-methoxy-2,3-dihydrofuran-5-yl)-1H-pyrazol-3-yl]-1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide
SMILESCOC1C=C(c2cc(NC(=O)c3cc(COC(F)(F)F)nn3C)n[nH]2)OC1
InChIInChI=1S/C15H16F3N5O4/c1-23-11(3-8(22-23)6-27-15(16,17)18)14(24)19-13-5-10(20-21-13)12-4-9(25-2)7-26-12/h3-5,9H,6-7H2,1-2H3,(H2,19,20,21,24)
InChIKeyQZSFZSYIWSVHLF-UHFFFAOYSA-N
XLogP1.82
TPSA103.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S,5S)-5-[3-[[1-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169141794
3-(methoxymethyl)-1-methyl-N-[5-[(1S,5R)-6-(propan-2-ylcarbamoyl)-3-bicyclo[3.1.0]hexanyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide
CID 170073507
[(1S,2R,4R)-2-fluoro-4-[3-[[1-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169142662
[(1S,2S,4S)-2-fluoro-4-[3-[[1-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169141808
3-(methoxymethyl)-1-methyl-N-[5-[(1R,3R)-3-(5-methylpyrimidin-2-yl)cyclopentyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide
CID 171719207
[(1R,2R,3R)-2-fluoro-3-[3-[[1-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 169142938
[(1S,2R,4R)-2-fluoro-4-[3-[[1-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 169142117
[5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 164880112
3-(methoxymethyl)-1-methyl-N-[5-[3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide
CID 164879753
[(1R,2R,4S)-2-fluoro-4-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169141951
[(1S,2R,3S)-2-fluoro-3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169143466
3-ethyl-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide
CID 66122312

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methoxy-2,3-dihydrofuran-5-yl)-1H-pyrazol-3-yl]-1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[5-(3-methoxy-2,3-dihydrofuran-5-yl)-1H-pyrazol-3-yl]-1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide (CID 164880191) is N-[5-(3-methoxy-2,3-dihydrofuran-5-yl)-1H-pyrazol-3-yl]-1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[5-(3-methoxy-2,3-dihydrofuran-5-yl)-1H-pyrazol-3-yl]-1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[5-(3-methoxy-2,3-dihydrofuran-5-yl)-1H-pyrazol-3-yl]-1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide is COC1C=C(c2cc(NC(=O)c3cc(COC(F)(F)F)nn3C)n[nH]2)OC1.
What is the InChIKey of N-[5-(3-methoxy-2,3-dihydrofuran-5-yl)-1H-pyrazol-3-yl]-1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide?
The InChIKey is QZSFZSYIWSVHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O4/c1-23-11(3-8(22-23)6-27-15(16,17)18)14(24)19-13-5-10(20-21-13)12-4-9(25-2)7-26-12/h3-5,9H,6-7H2,1-2H3,(H2,19,20,21,24).
What are the key properties of N-[5-(3-methoxy-2,3-dihydrofuran-5-yl)-1H-pyrazol-3-yl]-1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide?
N-[5-(3-methoxy-2,3-dihydrofuran-5-yl)-1H-pyrazol-3-yl]-1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide has a molecular weight of 387.32 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methoxy-2,3-dihydrofuran-5-yl)-1H-pyrazol-3-yl]-1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 164880191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).