N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide

C26H28F7N5O4 — CID 166470511

IUPACN-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCC(C(=O)NCC(F)(F)F)c1cc(F)c(NC(=O)C(NC(=O)c2ccnn2C)C(C2CC2)C2CC2)cc1OC(F)(F)F
InChIInChI=1S/C26H28F7N5O4/c1-12(22(39)34-11-25(28,29)30)15-9-16(27)17(10-19(15)42-26(31,32)33)36-24(41)21(20(13-3-4-13)14-5-6-14)37-23(40)18-7-8-35-38(18)2/h7-10,12-14,20-21H,3-6,11H2,1-2H3,(H,34,39)(H,36,41)(H,37,40)
InChIKeyMWYZXDFAZJJRCQ-UHFFFAOYSA-N
MW607.53 g/mol
LogP4.41
Rot. Bonds11

About N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide

N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 166470511) has the molecular formula C26H28F7N5O4 and a molecular weight of 607.53 g/mol. Its IUPAC name is N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
PubChem CID166470511
Molecular FormulaC26H28F7N5O4
Molecular Weight607.53 g/mol
Exact Mass607.20
IUPAC NameN-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCC(C(=O)NCC(F)(F)F)c1cc(F)c(NC(=O)C(NC(=O)c2ccnn2C)C(C2CC2)C2CC2)cc1OC(F)(F)F
InChIInChI=1S/C26H28F7N5O4/c1-12(22(39)34-11-25(28,29)30)15-9-16(27)17(10-19(15)42-26(31,32)33)36-24(41)21(20(13-3-4-13)14-5-6-14)37-23(40)18-7-8-35-38(18)2/h7-10,12-14,20-21H,3-6,11H2,1-2H3,(H,34,39)(H,36,41)(H,37,40)
InChIKeyMWYZXDFAZJJRCQ-UHFFFAOYSA-N
XLogP4.41
TPSA114.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.53
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

US9957261, Example 8
CID 118694726
US10975037, Example 203
CID 146287304
(2R)-2-amino-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-4-methylpentanamide
CID 164608877
N-cyclopropyl-1-ethyl-3-(2-fluoro-4-methoxyphenyl)pyrazole-5-carboxamide
CID 46105519
N-(cyclopropylmethyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 46171462
N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpyrazole-3-carboxamide
CID 71919677
N-cyclohexyl-4-(3-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 155558663
N-[3-(dimethylamino)propyl]-4-(3-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 155563796
US20250154138, Example 277
CID 176332307
US20250154138, Example 237
CID 176332329
US20250154138, Example 258
CID 176332339
US20250154138, Example 256
CID 176332388

Frequently Asked Questions

What is the IUPAC name of N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide (CID 166470511) is N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide is CC(C(=O)NCC(F)(F)F)c1cc(F)c(NC(=O)C(NC(=O)c2ccnn2C)C(C2CC2)C2CC2)cc1OC(F)(F)F.
What is the InChIKey of N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is MWYZXDFAZJJRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F7N5O4/c1-12(22(39)34-11-25(28,29)30)15-9-16(27)17(10-19(15)42-26(31,32)33)36-24(41)21(20(13-3-4-13)14-5-6-14)37-23(40)18-7-8-35-38(18)2/h7-10,12-14,20-21H,3-6,11H2,1-2H3,(H,34,39)(H,36,41)(H,37,40).
What are the key properties of N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?
N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 607.53 g/mol, XLogP of 4.41, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 166470511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).