N,1-dimethyl-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

C14H18F3N5O — CID 4771573

IUPACN,1-dimethyl-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)c1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C14H18F3N5O/c1-8-10(9(2)21(4)18-8)7-20(3)13(23)11-6-12(14(15,16)17)22(5)19-11/h6H,7H2,1-5H3
InChIKeyZCICLXZYLAKSQL-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.06
Rot. Bonds3

About N,1-dimethyl-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

N,1-dimethyl-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide (PubChem CID 4771573) has the molecular formula C14H18F3N5O and a molecular weight of 329.33 g/mol. Its IUPAC name is N,1-dimethyl-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
PubChem CID4771573
Molecular FormulaC14H18F3N5O
Molecular Weight329.33 g/mol
Exact Mass329.15
IUPAC NameN,1-dimethyl-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)c1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C14H18F3N5O/c1-8-10(9(2)21(4)18-8)7-20(3)13(23)11-6-12(14(15,16)17)22(5)19-11/h6H,7H2,1-5H3
InChIKeyZCICLXZYLAKSQL-UHFFFAOYSA-N
XLogP2.06
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of N,1-dimethyl-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide (CID 4771573) is N,1-dimethyl-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is Cc1nn(C)c(C)c1CN(C)C(=O)c1cc(C(F)(F)F)n(C)n1.
What is the InChIKey of N,1-dimethyl-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is ZCICLXZYLAKSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O/c1-8-10(9(2)21(4)18-8)7-20(3)13(23)11-6-12(14(15,16)17)22(5)19-11/h6H,7H2,1-5H3.
What are the key properties of N,1-dimethyl-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
N,1-dimethyl-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 329.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 4771573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).