cyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-5-methoxy-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]pyrazole-3-carboxamide

C28H37F4N5O4 — CID 166470445

IUPACcyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-5-methoxy-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]pyrazole-3-carboxamide
SMILESC1CC1CC1CC1.CCn1nccc1C(=O)NCC(=O)Nc1cc(OC)c(C(C)C(=O)N(C)CC(F)(F)F)cc1F
InChIInChI=1S/C21H25F4N5O4.C7H12/c1-5-30-16(6-7-27-30)19(32)26-10-18(31)28-15-9-17(34-4)13(8-14(15)22)12(2)20(33)29(3)11-21(23,24)25;1-2-6(1)5-7-3-4-7/h6-9,12H,5,10-11H2,1-4H3,(H,26,32)(H,28,31);6-7H,1-5H2
InChIKeyRCUKYYJFLJYUEB-UHFFFAOYSA-N
MW583.63 g/mol
LogP4.74
Rot. Bonds11

About cyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-5-methoxy-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]pyrazole-3-carboxamide

cyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-5-methoxy-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]pyrazole-3-carboxamide (PubChem CID 166470445) has the molecular formula C28H37F4N5O4 and a molecular weight of 583.63 g/mol. Its IUPAC name is cyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-5-methoxy-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Namecyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-5-methoxy-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]pyrazole-3-carboxamide
PubChem CID166470445
Molecular FormulaC28H37F4N5O4
Molecular Weight583.63 g/mol
Exact Mass583.28
IUPAC Namecyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-5-methoxy-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]pyrazole-3-carboxamide
SMILESC1CC1CC1CC1.CCn1nccc1C(=O)NCC(=O)Nc1cc(OC)c(C(C)C(=O)N(C)CC(F)(F)F)cc1F
InChIInChI=1S/C21H25F4N5O4.C7H12/c1-5-30-16(6-7-27-30)19(32)26-10-18(31)28-15-9-17(34-4)13(8-14(15)22)12(2)20(33)29(3)11-21(23,24)25;1-2-6(1)5-7-3-4-7/h6-9,12H,5,10-11H2,1-4H3,(H,26,32)(H,28,31);6-7H,1-5H2
InChIKeyRCUKYYJFLJYUEB-UHFFFAOYSA-N
XLogP4.74
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.63
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze cyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-5-methoxy-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]pyrazole-3-carboxamide with MolForge

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Related Compounds

US9957261, Example 8
CID 118694726
US10975037, Example 203
CID 146287304
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-[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
US20250154138, Example 290
CID 176733411

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-5-methoxy-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]pyrazole-3-carboxamide?
The IUPAC name of cyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-5-methoxy-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]pyrazole-3-carboxamide (CID 166470445) is cyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-5-methoxy-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]pyrazole-3-carboxamide.
What is the SMILES notation for cyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-5-methoxy-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]pyrazole-3-carboxamide?
The canonical SMILES for cyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-5-methoxy-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]pyrazole-3-carboxamide is C1CC1CC1CC1.CCn1nccc1C(=O)NCC(=O)Nc1cc(OC)c(C(C)C(=O)N(C)CC(F)(F)F)cc1F.
What is the InChIKey of cyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-5-methoxy-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]pyrazole-3-carboxamide?
The InChIKey is RCUKYYJFLJYUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F4N5O4.C7H12/c1-5-30-16(6-7-27-30)19(32)26-10-18(31)28-15-9-17(34-4)13(8-14(15)22)12(2)20(33)29(3)11-21(23,24)25;1-2-6(1)5-7-3-4-7/h6-9,12H,5,10-11H2,1-4H3,(H,26,32)(H,28,31);6-7H,1-5H2.
What are the key properties of cyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-5-methoxy-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]pyrazole-3-carboxamide?
cyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-5-methoxy-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]pyrazole-3-carboxamide has a molecular weight of 583.63 g/mol, XLogP of 4.74, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-5-methoxy-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]anilino]-2-oxoethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 166470445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).