2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide

C16H21ClF3N5O — CID 4769363

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)C(C)n1nc(C(F)(F)F)c(Cl)c1C
InChIInChI=1S/C16H21ClF3N5O/c1-8-12(9(2)24(6)21-8)7-23(5)15(26)11(4)25-10(3)13(17)14(22-25)16(18,19)20/h11H,7H2,1-6H3
InChIKeyUXOXCGLHDNZQRD-UHFFFAOYSA-N
MW391.83 g/mol
LogP3.43
Rot. Bonds4

About 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide (PubChem CID 4769363) has the molecular formula C16H21ClF3N5O and a molecular weight of 391.83 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
PubChem CID4769363
Molecular FormulaC16H21ClF3N5O
Molecular Weight391.83 g/mol
Exact Mass391.14
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)C(C)n1nc(C(F)(F)F)c(Cl)c1C
InChIInChI=1S/C16H21ClF3N5O/c1-8-12(9(2)24(6)21-8)7-23(5)15(26)11(4)25-10(3)13(17)14(22-25)16(18,19)20/h11H,7H2,1-6H3
InChIKeyUXOXCGLHDNZQRD-UHFFFAOYSA-N
XLogP3.43
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.83
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide (CID 4769363) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide is Cc1nn(C)c(C)c1CN(C)C(=O)C(C)n1nc(C(F)(F)F)c(Cl)c1C.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The InChIKey is UXOXCGLHDNZQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClF3N5O/c1-8-12(9(2)24(6)21-8)7-23(5)15(26)11(4)25-10(3)13(17)14(22-25)16(18,19)20/h11H,7H2,1-6H3.
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide has a molecular weight of 391.83 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 4769363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).