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

C29H37F4N5O3 — CID 166470777

IUPACcyclopropylmethylcyclopropane;N-[2-[5-ethenyl-2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESC1CC1CC1CC1.C=Cc1cc(NC(=O)CNC(=O)c2ccnn2C(C)C)c(F)cc1C(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C22H25F4N5O3.C7H12/c1-5-14-8-17(16(23)9-15(14)13(4)20(33)28-11-22(24,25)26)30-19(32)10-27-21(34)18-6-7-29-31(18)12(2)3;1-2-6(1)5-7-3-4-7/h5-9,12-13H,1,10-11H2,2-4H3,(H,27,34)(H,28,33)(H,30,32);6-7H,1-5H2
InChIKeySVQDIFXVXCHKOY-UHFFFAOYSA-N
MW579.64 g/mol
LogP5.59
Rot. Bonds11

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

cyclopropylmethylcyclopropane;N-[2-[5-ethenyl-2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 166470777) has the molecular formula C29H37F4N5O3 and a molecular weight of 579.64 g/mol. Its IUPAC name is cyclopropylmethylcyclopropane;N-[2-[5-ethenyl-2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Namecyclopropylmethylcyclopropane;N-[2-[5-ethenyl-2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID166470777
Molecular FormulaC29H37F4N5O3
Molecular Weight579.64 g/mol
Exact Mass579.28
IUPAC Namecyclopropylmethylcyclopropane;N-[2-[5-ethenyl-2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESC1CC1CC1CC1.C=Cc1cc(NC(=O)CNC(=O)c2ccnn2C(C)C)c(F)cc1C(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C22H25F4N5O3.C7H12/c1-5-14-8-17(16(23)9-15(14)13(4)20(33)28-11-22(24,25)26)30-19(32)10-27-21(34)18-6-7-29-31(18)12(2)3;1-2-6(1)5-7-3-4-7/h5-9,12-13H,1,10-11H2,2-4H3,(H,27,34)(H,28,33)(H,30,32);6-7H,1-5H2
InChIKeySVQDIFXVXCHKOY-UHFFFAOYSA-N
XLogP5.59
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.64
LogP ≤ 55.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethylcyclopropane;N-[2-[5-ethenyl-2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of cyclopropylmethylcyclopropane;N-[2-[5-ethenyl-2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide (CID 166470777) is cyclopropylmethylcyclopropane;N-[2-[5-ethenyl-2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for cyclopropylmethylcyclopropane;N-[2-[5-ethenyl-2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for cyclopropylmethylcyclopropane;N-[2-[5-ethenyl-2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide is C1CC1CC1CC1.C=Cc1cc(NC(=O)CNC(=O)c2ccnn2C(C)C)c(F)cc1C(C)C(=O)NCC(F)(F)F.
What is the InChIKey of cyclopropylmethylcyclopropane;N-[2-[5-ethenyl-2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is SVQDIFXVXCHKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F4N5O3.C7H12/c1-5-14-8-17(16(23)9-15(14)13(4)20(33)28-11-22(24,25)26)30-19(32)10-27-21(34)18-6-7-29-31(18)12(2)3;1-2-6(1)5-7-3-4-7/h5-9,12-13H,1,10-11H2,2-4H3,(H,27,34)(H,28,33)(H,30,32);6-7H,1-5H2.
What are the key properties of cyclopropylmethylcyclopropane;N-[2-[5-ethenyl-2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide?
cyclopropylmethylcyclopropane;N-[2-[5-ethenyl-2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 579.64 g/mol, XLogP of 5.59, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethylcyclopropane;N-[2-[5-ethenyl-2-fluoro-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 166470777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).