N-[1-(2-chloropyrimidin-5-yl)cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C13H11ClF3N5O — CID 171794485

IUPACN-[1-(2-chloropyrimidin-5-yl)cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NC1(c2cnc(Cl)nc2)CC1
InChIInChI=1S/C13H11ClF3N5O/c1-22-8(4-9(21-22)13(15,16)17)10(23)20-12(2-3-12)7-5-18-11(14)19-6-7/h4-6H,2-3H2,1H3,(H,20,23)
InChIKeyVGEIUOXNHRHLGO-UHFFFAOYSA-N
MW345.71 g/mol
LogP2.30
Rot. Bonds3

About N-[1-(2-chloropyrimidin-5-yl)cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[1-(2-chloropyrimidin-5-yl)cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 171794485) has the molecular formula C13H11ClF3N5O and a molecular weight of 345.71 g/mol. Its IUPAC name is N-[1-(2-chloropyrimidin-5-yl)cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chloropyrimidin-5-yl)cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID171794485
Molecular FormulaC13H11ClF3N5O
Molecular Weight345.71 g/mol
Exact Mass345.06
IUPAC NameN-[1-(2-chloropyrimidin-5-yl)cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NC1(c2cnc(Cl)nc2)CC1
InChIInChI=1S/C13H11ClF3N5O/c1-22-8(4-9(21-22)13(15,16)17)10(23)20-12(2-3-12)7-5-18-11(14)19-6-7/h4-6H,2-3H2,1H3,(H,20,23)
InChIKeyVGEIUOXNHRHLGO-UHFFFAOYSA-N
XLogP2.30
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.71
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloropyrimidin-5-yl)cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[1-(2-chloropyrimidin-5-yl)cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 171794485) is N-[1-(2-chloropyrimidin-5-yl)cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-chloropyrimidin-5-yl)cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(2-chloropyrimidin-5-yl)cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)NC1(c2cnc(Cl)nc2)CC1.
What is the InChIKey of N-[1-(2-chloropyrimidin-5-yl)cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is VGEIUOXNHRHLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N5O/c1-22-8(4-9(21-22)13(15,16)17)10(23)20-12(2-3-12)7-5-18-11(14)19-6-7/h4-6H,2-3H2,1H3,(H,20,23).
What are the key properties of N-[1-(2-chloropyrimidin-5-yl)cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[1-(2-chloropyrimidin-5-yl)cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 345.71 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloropyrimidin-5-yl)cyclopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 171794485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).