N-tert-butyl-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C10H13ClF3N3O — CID 4772260

IUPACN-tert-butyl-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)NC(C)(C)C
InChIInChI=1S/C10H13ClF3N3O/c1-9(2,3)15-8(18)6-5(11)7(10(12,13)14)16-17(6)4/h1-4H3,(H,15,18)
InChIKeyRPMQZCHVXQRGHL-UHFFFAOYSA-N
MW283.68 g/mol
LogP2.62
Rot. Bonds1

About N-tert-butyl-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-tert-butyl-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 4772260) has the molecular formula C10H13ClF3N3O and a molecular weight of 283.68 g/mol. Its IUPAC name is N-tert-butyl-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID4772260
Molecular FormulaC10H13ClF3N3O
Molecular Weight283.68 g/mol
Exact Mass283.07
IUPAC NameN-tert-butyl-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)NC(C)(C)C
InChIInChI=1S/C10H13ClF3N3O/c1-9(2,3)15-8(18)6-5(11)7(10(12,13)14)16-17(6)4/h1-4H3,(H,15,18)
InChIKeyRPMQZCHVXQRGHL-UHFFFAOYSA-N
XLogP2.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-tert-butyl-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 4772260) is N-tert-butyl-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-tert-butyl-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)c(Cl)c1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is RPMQZCHVXQRGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3O/c1-9(2,3)15-8(18)6-5(11)7(10(12,13)14)16-17(6)4/h1-4H3,(H,15,18).
What are the key properties of N-tert-butyl-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-tert-butyl-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 283.68 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4772260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).