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

C28H38F7N5O4 — CID 166470463

IUPACcyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]pyrazole-3-carboxamide;molecular hydrogen
SMILESC1CC1CC1CC1.CCn1nccc1C(=O)NCC(=O)Nc1cc(OC(F)(F)F)c(C(C)C(=O)N(C)CC(F)(F)F)cc1F.[H][H].[H][H]
InChIInChI=1S/C21H22F7N5O4.C7H12.2H2/c1-4-33-15(5-6-30-33)18(35)29-9-17(34)31-14-8-16(37-21(26,27)28)12(7-13(14)22)11(2)19(36)32(3)10-20(23,24)25;1-2-6(1)5-7-3-4-7;;/h5-8,11H,4,9-10H2,1-3H3,(H,29,35)(H,31,34);6-7H,1-5H2;2*1H
InChIKeyRBQDQPDQQNCEQI-UHFFFAOYSA-N
MW641.63 g/mol
LogP6.12
Rot. Bonds11

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

cyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]pyrazole-3-carboxamide;molecular hydrogen (PubChem CID 166470463) has the molecular formula C28H38F7N5O4 and a molecular weight of 641.63 g/mol. Its IUPAC name is cyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]pyrazole-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound Namecyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]pyrazole-3-carboxamide;molecular hydrogen
PubChem CID166470463
Molecular FormulaC28H38F7N5O4
Molecular Weight641.63 g/mol
Exact Mass641.28
IUPAC Namecyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]pyrazole-3-carboxamide;molecular hydrogen
SMILESC1CC1CC1CC1.CCn1nccc1C(=O)NCC(=O)Nc1cc(OC(F)(F)F)c(C(C)C(=O)N(C)CC(F)(F)F)cc1F.[H][H].[H][H]
InChIInChI=1S/C21H22F7N5O4.C7H12.2H2/c1-4-33-15(5-6-30-33)18(35)29-9-17(34)31-14-8-16(37-21(26,27)28)12(7-13(14)22)11(2)19(36)32(3)10-20(23,24)25;1-2-6(1)5-7-3-4-7;;/h5-8,11H,4,9-10H2,1-3H3,(H,29,35)(H,31,34);6-7H,1-5H2;2*1H
InChIKeyRBQDQPDQQNCEQI-UHFFFAOYSA-N
XLogP6.12
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.63
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

US9957261, Example 8
CID 118694726
US11034658, Example 34
CID 153296686
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
US20250154138, Example 291
CID 176733412
N-cyclopropyl-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 46705128
N-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylpyrazole-5-carboxamide
CID 46105247

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]pyrazole-3-carboxamide;molecular hydrogen?
The IUPAC name of cyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]pyrazole-3-carboxamide;molecular hydrogen (CID 166470463) is cyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]pyrazole-3-carboxamide;molecular hydrogen.
What is the SMILES notation for cyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]pyrazole-3-carboxamide;molecular hydrogen?
The canonical SMILES for cyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]pyrazole-3-carboxamide;molecular hydrogen is C1CC1CC1CC1.CCn1nccc1C(=O)NCC(=O)Nc1cc(OC(F)(F)F)c(C(C)C(=O)N(C)CC(F)(F)F)cc1F.[H][H].[H][H].
What is the InChIKey of cyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]pyrazole-3-carboxamide;molecular hydrogen?
The InChIKey is RBQDQPDQQNCEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F7N5O4.C7H12.2H2/c1-4-33-15(5-6-30-33)18(35)29-9-17(34)31-14-8-16(37-21(26,27)28)12(7-13(14)22)11(2)19(36)32(3)10-20(23,24)25;1-2-6(1)5-7-3-4-7;;/h5-8,11H,4,9-10H2,1-3H3,(H,29,35)(H,31,34);6-7H,1-5H2;2*1H.
What are the key properties of cyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]pyrazole-3-carboxamide;molecular hydrogen?
cyclopropylmethylcyclopropane;2-ethyl-N-[2-[2-fluoro-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]pyrazole-3-carboxamide;molecular hydrogen has a molecular weight of 641.63 g/mol, XLogP of 6.12, 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-4-[1-[methyl(2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]-5-(trifluoromethoxy)anilino]-2-oxoethyl]pyrazole-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 166470463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).