1,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]pyrazole-3-carboxamide

C17H21F3N6O — CID 172900391

IUPAC1,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]pyrazole-3-carboxamide
SMILESCc1nc(N2CCCC(NC(=O)c3cc(C)n(C)n3)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C17H21F3N6O/c1-10-7-13(24-25(10)3)16(27)23-12-5-4-6-26(9-12)15-8-14(17(18,19)20)21-11(2)22-15/h7-8,12H,4-6,9H2,1-3H3,(H,23,27)
InChIKeyXUIDGLCUQCYMHA-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.24
Rot. Bonds3

About 1,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]pyrazole-3-carboxamide

1,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 172900391) has the molecular formula C17H21F3N6O and a molecular weight of 382.39 g/mol. Its IUPAC name is 1,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]pyrazole-3-carboxamide
PubChem CID172900391
Molecular FormulaC17H21F3N6O
Molecular Weight382.39 g/mol
Exact Mass382.17
IUPAC Name1,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]pyrazole-3-carboxamide
SMILESCc1nc(N2CCCC(NC(=O)c3cc(C)n(C)n3)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C17H21F3N6O/c1-10-7-13(24-25(10)3)16(27)23-12-5-4-6-26(9-12)15-8-14(17(18,19)20)21-11(2)22-15/h7-8,12H,4-6,9H2,1-3H3,(H,23,27)
InChIKeyXUIDGLCUQCYMHA-UHFFFAOYSA-N
XLogP2.24
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172899622
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 95629403
N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172903697
1,5-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172899582
5-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide
CID 91631451
N-[1-(7-methoxy-4-methylquinolin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172903824
N-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172902803
N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172891175
1,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172900070
N-[1-(2-methoxyethyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172899699
5-cyclopropyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 91817801
1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
CID 102549339

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]pyrazole-3-carboxamide (CID 172900391) is 1,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]pyrazole-3-carboxamide is Cc1nc(N2CCCC(NC(=O)c3cc(C)n(C)n3)C2)cc(C(F)(F)F)n1.
What is the InChIKey of 1,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is XUIDGLCUQCYMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N6O/c1-10-7-13(24-25(10)3)16(27)23-12-5-4-6-26(9-12)15-8-14(17(18,19)20)21-11(2)22-15/h7-8,12H,4-6,9H2,1-3H3,(H,23,27).
What are the key properties of 1,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]pyrazole-3-carboxamide?
1,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 172900391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).