N-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyanilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide

C18H17F7N4O3 — CID 166453867

IUPACN-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyanilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCOc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1NC(=O)C(C)NC(=O)c1ccnn1C
InChIInChI=1S/C18H17F7N4O3/c1-9(27-15(31)12-6-7-26-29(12)2)14(30)28-11-5-4-10(8-13(11)32-3)16(19,17(20,21)22)18(23,24)25/h4-9H,1-3H3,(H,27,31)(H,28,30)
InChIKeyHGVRHNZCLBRXCH-UHFFFAOYSA-N
MW470.35 g/mol
LogP3.48
Rot. Bonds6

About N-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyanilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide

N-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyanilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 166453867) has the molecular formula C18H17F7N4O3 and a molecular weight of 470.35 g/mol. Its IUPAC name is N-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyanilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyanilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
PubChem CID166453867
Molecular FormulaC18H17F7N4O3
Molecular Weight470.35 g/mol
Exact Mass470.12
IUPAC NameN-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyanilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCOc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1NC(=O)C(C)NC(=O)c1ccnn1C
InChIInChI=1S/C18H17F7N4O3/c1-9(27-15(31)12-6-7-26-29(12)2)14(30)28-11-5-4-10(8-13(11)32-3)16(19,17(20,21)22)18(23,24)25/h4-9H,1-3H3,(H,27,31)(H,28,30)
InChIKeyHGVRHNZCLBRXCH-UHFFFAOYSA-N
XLogP3.48
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyanilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

tert-butyl N-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyanilino]-1-oxopropan-2-yl]carbamate
CID 166453865
[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyanilino]-1-oxopropan-2-yl] carbamate
CID 175387528
2-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 19475610
(2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 78972778
N-(5-bromo-2,4-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide
CID 86801789
N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 95717323
N-(4-amino-3-methoxyphenyl)-2-methylpyrazole-3-carboxamide
CID 61239849
N-[(1R)-1-cyanoethyl]-2-methylpyrazole-3-carboxamide
CID 130678636
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 99819963
N-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide
CID 19475661
(2-methylpyrazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 114972609
(2S)-3,3-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]butanoic acid
CID 61143265

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyanilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyanilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide (CID 166453867) is N-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyanilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyanilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyanilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide is COc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1NC(=O)C(C)NC(=O)c1ccnn1C.
What is the InChIKey of N-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyanilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is HGVRHNZCLBRXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F7N4O3/c1-9(27-15(31)12-6-7-26-29(12)2)14(30)28-11-5-4-10(8-13(11)32-3)16(19,17(20,21)22)18(23,24)25/h4-9H,1-3H3,(H,27,31)(H,28,30).
What are the key properties of N-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyanilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?
N-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyanilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 470.35 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyanilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 166453867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).