5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide

C20H32N6O — CID 56740156

IUPAC5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1nccn1Cc1cc(C(=O)NC2CC(C)(C)NC(C)(C)C2)n[nH]1
InChIInChI=1S/C20H32N6O/c1-13(2)17-21-7-8-26(17)12-14-9-16(24-23-14)18(27)22-15-10-19(3,4)25-20(5,6)11-15/h7-9,13,15,25H,10-12H2,1-6H3,(H,22,27)(H,23,24)
InChIKeyJHIKTUFRUCJJBB-UHFFFAOYSA-N
MW372.52 g/mol
LogP2.82
Rot. Bonds5

About 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide

5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide (PubChem CID 56740156) has the molecular formula C20H32N6O and a molecular weight of 372.52 g/mol. Its IUPAC name is 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
PubChem CID56740156
Molecular FormulaC20H32N6O
Molecular Weight372.52 g/mol
Exact Mass372.26
IUPAC Name5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1nccn1Cc1cc(C(=O)NC2CC(C)(C)NC(C)(C)C2)n[nH]1
InChIInChI=1S/C20H32N6O/c1-13(2)17-21-7-8-26(17)12-14-9-16(24-23-14)18(27)22-15-10-19(3,4)25-20(5,6)11-15/h7-9,13,15,25H,10-12H2,1-6H3,(H,22,27)(H,23,24)
InChIKeyJHIKTUFRUCJJBB-UHFFFAOYSA-N
XLogP2.82
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

US10022354, Example 197
CID 121279738
US10022354, Example 100
CID 121279607
5-[(2-isopropyl-1H-imidazol-1-yl)methyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 42517516
3-ethyl-4-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 45929830
N-cyclopropyl-5-[(4-methyl-1H-imidazol-2-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50971445
[3-(2-methylimidazol-1-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 53616138
(5-ethyl-1H-pyrazol-4-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 53619019
2,4-dimethyl-N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 56722336
N-[2-(1H-imidazol-1-yl)propyl]-5-[(2-isopropyl-1H-imidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56747850
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56779749
[5-(2-methylpropyl)-1H-pyrazol-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 56788402
4-bromo-5-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-1H-pyrazole-3-carboxamide
CID 72149649

Frequently Asked Questions

What is the IUPAC name of 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide (CID 56740156) is 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide is CC(C)c1nccn1Cc1cc(C(=O)NC2CC(C)(C)NC(C)(C)C2)n[nH]1.
What is the InChIKey of 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is JHIKTUFRUCJJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O/c1-13(2)17-21-7-8-26(17)12-14-9-16(24-23-14)18(27)22-15-10-19(3,4)25-20(5,6)11-15/h7-9,13,15,25H,10-12H2,1-6H3,(H,22,27)(H,23,24).
What are the key properties of 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide?
5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 372.52 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56740156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).