4-chloro-1-methyl-3-propyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide

C15H15ClF3N3O — CID 850813

IUPAC4-chloro-1-methyl-3-propyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide
SMILESCCCc1nn(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1Cl
InChIInChI=1S/C15H15ClF3N3O/c1-3-5-11-12(16)13(22(2)21-11)14(23)20-10-7-4-6-9(8-10)15(17,18)19/h4,6-8H,3,5H2,1-2H3,(H,20,23)
InChIKeyPOKNVWONCBDCMP-UHFFFAOYSA-N
MW345.75 g/mol
LogP4.30
Rot. Bonds4

About 4-chloro-1-methyl-3-propyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide

4-chloro-1-methyl-3-propyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide (PubChem CID 850813) has the molecular formula C15H15ClF3N3O and a molecular weight of 345.75 g/mol. Its IUPAC name is 4-chloro-1-methyl-3-propyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-3-propyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide
PubChem CID850813
Molecular FormulaC15H15ClF3N3O
Molecular Weight345.75 g/mol
Exact Mass345.09
IUPAC Name4-chloro-1-methyl-3-propyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide
SMILESCCCc1nn(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1Cl
InChIInChI=1S/C15H15ClF3N3O/c1-3-5-11-12(16)13(22(2)21-11)14(23)20-10-7-4-6-9(8-10)15(17,18)19/h4,6-8H,3,5H2,1-2H3,(H,20,23)
InChIKeyPOKNVWONCBDCMP-UHFFFAOYSA-N
XLogP4.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(4-chloro-1-methyl-3-propylpyrazole-5-carbonyl)amino]benzoate
CID 850815
4-chloro-N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide
CID 985907
methyl 4-[(4-chloro-1-methyl-3-propylpyrazole-5-carbonyl)amino]benzoate
CID 850812
4-chloro-N-(3-hydroxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19506719
6-oxo-1-propyl-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42162095
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 669889
3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 91802666
4-chloro-N-(3-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 4615060
3-methyl-4-propyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 165142528
3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 111912608
1-butyl-3-methyl-N-[3-(trifluoromethyl)phenyl]indole-2-carboxamide
CID 110501236
N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2251553

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-3-propyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-3-propyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide (CID 850813) is 4-chloro-1-methyl-3-propyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-3-propyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-3-propyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide is CCCc1nn(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1Cl.
What is the InChIKey of 4-chloro-1-methyl-3-propyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide?
The InChIKey is POKNVWONCBDCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O/c1-3-5-11-12(16)13(22(2)21-11)14(23)20-10-7-4-6-9(8-10)15(17,18)19/h4,6-8H,3,5H2,1-2H3,(H,20,23).
What are the key properties of 4-chloro-1-methyl-3-propyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide?
4-chloro-1-methyl-3-propyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide has a molecular weight of 345.75 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-3-propyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 850813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).