cyclopropylmethylcyclopropane;N-[2-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide

C28H34F7N5O4 — CID 166470465

IUPACcyclopropylmethylcyclopropane;N-[2-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESC1CC1CC1CC1.CC(C(=O)NCC(F)(F)F)c1cc(F)c(NC(=O)CNC(=O)c2ccnn2C(C)C)cc1OC(F)(F)F
InChIInChI=1S/C21H22F7N5O4.C7H12/c1-10(2)33-15(4-5-31-33)19(36)29-8-17(34)32-14-7-16(37-21(26,27)28)12(6-13(14)22)11(3)18(35)30-9-20(23,24)25;1-2-6(1)5-7-3-4-7/h4-7,10-11H,8-9H2,1-3H3,(H,29,36)(H,30,35)(H,32,34);6-7H,1-5H2
InChIKeyMTYOSQYJLGBQFD-UHFFFAOYSA-N
MW637.60 g/mol
LogP5.85
Rot. Bonds11

About cyclopropylmethylcyclopropane;N-[2-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide

cyclopropylmethylcyclopropane;N-[2-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 166470465) has the molecular formula C28H34F7N5O4 and a molecular weight of 637.60 g/mol. Its IUPAC name is cyclopropylmethylcyclopropane;N-[2-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Namecyclopropylmethylcyclopropane;N-[2-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID166470465
Molecular FormulaC28H34F7N5O4
Molecular Weight637.60 g/mol
Exact Mass637.25
IUPAC Namecyclopropylmethylcyclopropane;N-[2-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESC1CC1CC1CC1.CC(C(=O)NCC(F)(F)F)c1cc(F)c(NC(=O)CNC(=O)c2ccnn2C(C)C)cc1OC(F)(F)F
InChIInChI=1S/C21H22F7N5O4.C7H12/c1-10(2)33-15(4-5-31-33)19(36)29-8-17(34)32-14-7-16(37-21(26,27)28)12(6-13(14)22)11(3)18(35)30-9-20(23,24)25;1-2-6(1)5-7-3-4-7/h4-7,10-11H,8-9H2,1-3H3,(H,29,36)(H,30,35)(H,32,34);6-7H,1-5H2
InChIKeyMTYOSQYJLGBQFD-UHFFFAOYSA-N
XLogP5.85
TPSA114.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.60
LogP ≤ 55.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze cyclopropylmethylcyclopropane;N-[2-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide with MolForge

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Related Compounds

US9957261, Example 8
CID 118694726
US10975037, Example 203
CID 146287304
US10975037, Example 130
CID 146287384
US10975037, Example 228
CID 146287402
US10975037, Example 131
CID 146287676
US11034658, Example 34
CID 153296686
(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-[3-(dimethylamino)propyl]-4-(3-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 155563796
US20250154138, Example 277
CID 176332307

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethylcyclopropane;N-[2-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of cyclopropylmethylcyclopropane;N-[2-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide (CID 166470465) is cyclopropylmethylcyclopropane;N-[2-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for cyclopropylmethylcyclopropane;N-[2-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for cyclopropylmethylcyclopropane;N-[2-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide is C1CC1CC1CC1.CC(C(=O)NCC(F)(F)F)c1cc(F)c(NC(=O)CNC(=O)c2ccnn2C(C)C)cc1OC(F)(F)F.
What is the InChIKey of cyclopropylmethylcyclopropane;N-[2-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is MTYOSQYJLGBQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F7N5O4.C7H12/c1-10(2)33-15(4-5-31-33)19(36)29-8-17(34)32-14-7-16(37-21(26,27)28)12(6-13(14)22)11(3)18(35)30-9-20(23,24)25;1-2-6(1)5-7-3-4-7/h4-7,10-11H,8-9H2,1-3H3,(H,29,36)(H,30,35)(H,32,34);6-7H,1-5H2.
What are the key properties of cyclopropylmethylcyclopropane;N-[2-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide?
cyclopropylmethylcyclopropane;N-[2-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 637.60 g/mol, XLogP of 5.85, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethylcyclopropane;N-[2-[2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 166470465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).