N-[1-[2-[5-(2-fluoropropan-2-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]pyrimidin-5-yl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;molecular hydrogen;hydrofluoride

C23H26F5N5O — CID 171794444

IUPACN-[1-[2-[5-(2-fluoropropan-2-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]pyrimidin-5-yl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;molecular hydrogen;hydrofluoride
SMILESCn1nc(C(F)(F)F)cc1C(=O)NC1(c2cnc(C3=CC4CC4C(C(C)(C)F)=C3)nc2)CC1.F.[H][H]
InChIInChI=1S/C23H23F4N5O.FH.H2/c1-21(2,24)16-8-13(6-12-7-15(12)16)19-28-10-14(11-29-19)22(4-5-22)30-20(33)17-9-18(23(25,26)27)31-32(17)3;;/h6,8-12,15H,4-5,7H2,1-3H3,(H,30,33);2*1H
InChIKeyOWTKCAIOKIPRJY-UHFFFAOYSA-N
MW483.49 g/mol
LogP4.75
Rot. Bonds5

About N-[1-[2-[5-(2-fluoropropan-2-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]pyrimidin-5-yl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;molecular hydrogen;hydrofluoride

N-[1-[2-[5-(2-fluoropropan-2-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]pyrimidin-5-yl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;molecular hydrogen;hydrofluoride (PubChem CID 171794444) has the molecular formula C23H26F5N5O and a molecular weight of 483.49 g/mol. Its IUPAC name is N-[1-[2-[5-(2-fluoropropan-2-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]pyrimidin-5-yl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;molecular hydrogen;hydrofluoride.

Molecular Properties

Compound NameN-[1-[2-[5-(2-fluoropropan-2-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]pyrimidin-5-yl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;molecular hydrogen;hydrofluoride
PubChem CID171794444
Molecular FormulaC23H26F5N5O
Molecular Weight483.49 g/mol
Exact Mass483.21
IUPAC NameN-[1-[2-[5-(2-fluoropropan-2-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]pyrimidin-5-yl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;molecular hydrogen;hydrofluoride
SMILESCn1nc(C(F)(F)F)cc1C(=O)NC1(c2cnc(C3=CC4CC4C(C(C)(C)F)=C3)nc2)CC1.F.[H][H]
InChIInChI=1S/C23H23F4N5O.FH.H2/c1-21(2,24)16-8-13(6-12-7-15(12)16)19-28-10-14(11-29-19)22(4-5-22)30-20(33)17-9-18(23(25,26)27)31-32(17)3;;/h6,8-12,15H,4-5,7H2,1-3H3,(H,30,33);2*1H
InChIKeyOWTKCAIOKIPRJY-UHFFFAOYSA-N
XLogP4.75
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-[5-(2-fluoropropan-2-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]pyrimidin-5-yl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;molecular hydrogen;hydrofluoride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[5-(2-fluoropropan-2-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]pyrimidin-5-yl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;molecular hydrogen;hydrofluoride?
The IUPAC name of N-[1-[2-[5-(2-fluoropropan-2-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]pyrimidin-5-yl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;molecular hydrogen;hydrofluoride (CID 171794444) is N-[1-[2-[5-(2-fluoropropan-2-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]pyrimidin-5-yl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;molecular hydrogen;hydrofluoride.
What is the SMILES notation for N-[1-[2-[5-(2-fluoropropan-2-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]pyrimidin-5-yl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;molecular hydrogen;hydrofluoride?
The canonical SMILES for N-[1-[2-[5-(2-fluoropropan-2-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]pyrimidin-5-yl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;molecular hydrogen;hydrofluoride is Cn1nc(C(F)(F)F)cc1C(=O)NC1(c2cnc(C3=CC4CC4C(C(C)(C)F)=C3)nc2)CC1.F.[H][H].
What is the InChIKey of N-[1-[2-[5-(2-fluoropropan-2-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]pyrimidin-5-yl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;molecular hydrogen;hydrofluoride?
The InChIKey is OWTKCAIOKIPRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F4N5O.FH.H2/c1-21(2,24)16-8-13(6-12-7-15(12)16)19-28-10-14(11-29-19)22(4-5-22)30-20(33)17-9-18(23(25,26)27)31-32(17)3;;/h6,8-12,15H,4-5,7H2,1-3H3,(H,30,33);2*1H.
What are the key properties of N-[1-[2-[5-(2-fluoropropan-2-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]pyrimidin-5-yl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;molecular hydrogen;hydrofluoride?
N-[1-[2-[5-(2-fluoropropan-2-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]pyrimidin-5-yl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;molecular hydrogen;hydrofluoride has a molecular weight of 483.49 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[5-(2-fluoropropan-2-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]pyrimidin-5-yl]cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;molecular hydrogen;hydrofluoride is sourced from PubChem (CID 171794444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).