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

C14H17ClF3N5O — CID 4770084

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)C(C)n1nc(C(F)(F)F)c(Cl)c1C
InChIInChI=1S/C14H17ClF3N5O/c1-6-11(8(3)22(5)20-6)19-13(24)9(4)23-7(2)10(15)12(21-23)14(16,17)18/h9H,1-5H3,(H,19,24)
InChIKeyRWLRJEDYKGQSCN-UHFFFAOYSA-N
MW363.77 g/mol
LogP3.41
Rot. Bonds3

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

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 4770084) has the molecular formula C14H17ClF3N5O and a molecular weight of 363.77 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID4770084
Molecular FormulaC14H17ClF3N5O
Molecular Weight363.77 g/mol
Exact Mass363.11
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)C(C)n1nc(C(F)(F)F)c(Cl)c1C
InChIInChI=1S/C14H17ClF3N5O/c1-6-11(8(3)22(5)20-6)19-13(24)9(4)23-7(2)10(15)12(21-23)14(16,17)18/h9H,1-5H3,(H,19,24)
InChIKeyRWLRJEDYKGQSCN-UHFFFAOYSA-N
XLogP3.41
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.77
LogP ≤ 53.41
H-Bond Donors ≤ 51
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-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 4770084) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1NC(=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-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is RWLRJEDYKGQSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N5O/c1-6-11(8(3)22(5)20-6)19-13(24)9(4)23-7(2)10(15)12(21-23)14(16,17)18/h9H,1-5H3,(H,19,24).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 363.77 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 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-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 4770084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).