2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide

C15H19ClF3N5O — CID 4770633

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide
SMILESCCn1cc(CN(C)C(=O)C(C)n2nc(C(F)(F)F)c(Cl)c2C)cn1
InChIInChI=1S/C15H19ClF3N5O/c1-5-23-8-11(6-20-23)7-22(4)14(25)10(3)24-9(2)12(16)13(21-24)15(17,18)19/h6,8,10H,5,7H2,1-4H3
InChIKeyRLGPJVRZDHPGLP-UHFFFAOYSA-N
MW377.80 g/mol
LogP3.30
Rot. Bonds5

About 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide (PubChem CID 4770633) has the molecular formula C15H19ClF3N5O and a molecular weight of 377.80 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide
PubChem CID4770633
Molecular FormulaC15H19ClF3N5O
Molecular Weight377.80 g/mol
Exact Mass377.12
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide
SMILESCCn1cc(CN(C)C(=O)C(C)n2nc(C(F)(F)F)c(Cl)c2C)cn1
InChIInChI=1S/C15H19ClF3N5O/c1-5-23-8-11(6-20-23)7-22(4)14(25)10(3)24-9(2)12(16)13(21-24)15(17,18)19/h6,8,10H,5,7H2,1-4H3
InChIKeyRLGPJVRZDHPGLP-UHFFFAOYSA-N
XLogP3.30
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.80
LogP ≤ 53.30
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-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide (CID 4770633) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide is CCn1cc(CN(C)C(=O)C(C)n2nc(C(F)(F)F)c(Cl)c2C)cn1.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide?
The InChIKey is RLGPJVRZDHPGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3N5O/c1-5-23-8-11(6-20-23)7-22(4)14(25)10(3)24-9(2)12(16)13(21-24)15(17,18)19/h6,8,10H,5,7H2,1-4H3.
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide has a molecular weight of 377.80 g/mol, XLogP of 3.30, 5 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-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 4770633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).