1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-3-carboxamide

C19H29ClN6O — CID 35527618

IUPAC1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-3-carboxamide
SMILESCc1nn(Cn2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)n2)c(C)c1Cl
InChIInChI=1S/C19H29ClN6O/c1-12-16(20)13(2)26(22-12)11-25-8-7-15(23-25)17(27)21-14-9-18(3,4)24-19(5,6)10-14/h7-8,14,24H,9-11H2,1-6H3,(H,21,27)
InChIKeyQOXPCMCUJHPITE-UHFFFAOYSA-N
MW392.94 g/mol
LogP2.89
Rot. Bonds4

About 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-3-carboxamide

1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-3-carboxamide (PubChem CID 35527618) has the molecular formula C19H29ClN6O and a molecular weight of 392.94 g/mol. Its IUPAC name is 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-3-carboxamide
PubChem CID35527618
Molecular FormulaC19H29ClN6O
Molecular Weight392.94 g/mol
Exact Mass392.21
IUPAC Name1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-3-carboxamide
SMILESCc1nn(Cn2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)n2)c(C)c1Cl
InChIInChI=1S/C19H29ClN6O/c1-12-16(20)13(2)26(22-12)11-25-8-7-15(23-25)17(27)21-14-9-18(3,4)24-19(5,6)10-14/h7-8,14,24H,9-11H2,1-6H3,(H,21,27)
InChIKeyQOXPCMCUJHPITE-UHFFFAOYSA-N
XLogP2.89
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.94
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]butanoyl chloride
CID 19272028
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazole-3-carboxamide
CID 19272233
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(diethylamino)phenyl]pyrazole-3-carboxamide
CID 19271947
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]pyrazole-3-carboxamide
CID 35530432
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
CID 19264318
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19271951
1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 19264941
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-3-carboxamide
CID 19272108
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide
CID 19272090
N-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 74244989
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 19272076
2-[3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500222

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-3-carboxamide (CID 35527618) is 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-3-carboxamide is Cc1nn(Cn2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)n2)c(C)c1Cl.
What is the InChIKey of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-3-carboxamide?
The InChIKey is QOXPCMCUJHPITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN6O/c1-12-16(20)13(2)26(22-12)11-25-8-7-15(23-25)17(27)21-14-9-18(3,4)24-19(5,6)10-14/h7-8,14,24H,9-11H2,1-6H3,(H,21,27).
What are the key properties of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-3-carboxamide?
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-3-carboxamide has a molecular weight of 392.94 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 35527618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).