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

C14H17ClF3N5O — CID 19460602

IUPACN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cc(C(F)(F)F)nn1CCC(=O)N(C)Cc1c(Cl)cnn1C
InChIInChI=1S/C14H17ClF3N5O/c1-9-6-12(14(16,17)18)20-23(9)5-4-13(24)21(2)8-11-10(15)7-19-22(11)3/h6-7H,4-5,8H2,1-3H3
InChIKeyRONOBIUFXUSUJG-UHFFFAOYSA-N
MW363.77 g/mol
LogP2.65
Rot. Bonds5

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

N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 19460602) has the molecular formula C14H17ClF3N5O and a molecular weight of 363.77 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID19460602
Molecular FormulaC14H17ClF3N5O
Molecular Weight363.77 g/mol
Exact Mass363.11
IUPAC NameN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cc(C(F)(F)F)nn1CCC(=O)N(C)Cc1c(Cl)cnn1C
InChIInChI=1S/C14H17ClF3N5O/c1-9-6-12(14(16,17)18)20-23(9)5-4-13(24)21(2)8-11-10(15)7-19-22(11)3/h6-7H,4-5,8H2,1-3H3
InChIKeyRONOBIUFXUSUJG-UHFFFAOYSA-N
XLogP2.65
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.77
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19452152
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide
CID 19460723
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19464597
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19460615
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide
CID 19458493
2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 19520695
N-(5-chloro-1-methylpyrazol-4-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 126833324
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19531028
ethyl 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate
CID 25247509
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 19452153
4-chloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 19278145
N-(2-hydroxyethyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566161

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 19460602) is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is Cc1cc(C(F)(F)F)nn1CCC(=O)N(C)Cc1c(Cl)cnn1C.
What is the InChIKey of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is RONOBIUFXUSUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N5O/c1-9-6-12(14(16,17)18)20-23(9)5-4-13(24)21(2)8-11-10(15)7-19-22(11)3/h6-7H,4-5,8H2,1-3H3.
What are the key properties of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 363.77 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 19460602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).