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

C14H17ClF3N5O — CID 19296781

IUPACN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCCn1ncc(Cl)c1CNC(=O)CCn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C14H17ClF3N5O/c1-3-22-11(10(15)7-20-22)8-19-13(24)4-5-23-9(2)6-12(21-23)14(16,17)18/h6-7H,3-5,8H2,1-2H3,(H,19,24)
InChIKeyXAUICGHNDWLBHC-UHFFFAOYSA-N
MW363.77 g/mol
LogP2.79
Rot. Bonds6

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

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 19296781) has the molecular formula C14H17ClF3N5O and a molecular weight of 363.77 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID19296781
Molecular FormulaC14H17ClF3N5O
Molecular Weight363.77 g/mol
Exact Mass363.11
IUPAC NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCCn1ncc(Cl)c1CNC(=O)CCn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C14H17ClF3N5O/c1-3-22-11(10(15)7-20-22)8-19-13(24)4-5-23-9(2)6-12(21-23)14(16,17)18/h6-7H,3-5,8H2,1-2H3,(H,19,24)
InChIKeyXAUICGHNDWLBHC-UHFFFAOYSA-N
XLogP2.79
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.77
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 19296781) is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is CCn1ncc(Cl)c1CNC(=O)CCn1nc(C(F)(F)F)cc1C.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is XAUICGHNDWLBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N5O/c1-3-22-11(10(15)7-20-22)8-19-13(24)4-5-23-9(2)6-12(21-23)14(16,17)18/h6-7H,3-5,8H2,1-2H3,(H,19,24).
What are the key properties of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 363.77 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 19296781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).