N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-[(2R)-oxolan-2-yl]acetamide

C21H36N4O2 — CID 98129348

IUPACN-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-[(2R)-oxolan-2-yl]acetamide
SMILESCN(C)Cc1cc(C2CCC(CN(C)C(=O)C[C@H]3CCCO3)CC2)nn1C
InChIInChI=1S/C21H36N4O2/c1-23(2)15-18-12-20(22-25(18)4)17-9-7-16(8-10-17)14-24(3)21(26)13-19-6-5-11-27-19/h12,16-17,19H,5-11,13-15H2,1-4H3/t16?,17?,19-/m1/s1
InChIKeyUKOJRRYWYCQYHE-FAFZWHIHSA-N
MW376.55 g/mol
LogP2.78
Rot. Bonds7

About N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-[(2R)-oxolan-2-yl]acetamide

N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-[(2R)-oxolan-2-yl]acetamide (PubChem CID 98129348) has the molecular formula C21H36N4O2 and a molecular weight of 376.55 g/mol. Its IUPAC name is N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-[(2R)-oxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-[(2R)-oxolan-2-yl]acetamide
PubChem CID98129348
Molecular FormulaC21H36N4O2
Molecular Weight376.55 g/mol
Exact Mass376.28
IUPAC NameN-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-[(2R)-oxolan-2-yl]acetamide
SMILESCN(C)Cc1cc(C2CCC(CN(C)C(=O)C[C@H]3CCCO3)CC2)nn1C
InChIInChI=1S/C21H36N4O2/c1-23(2)15-18-12-20(22-25(18)4)17-9-7-16(8-10-17)14-24(3)21(26)13-19-6-5-11-27-19/h12,16-17,19H,5-11,13-15H2,1-4H3/t16?,17?,19-/m1/s1
InChIKeyUKOJRRYWYCQYHE-FAFZWHIHSA-N
XLogP2.78
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-2-(methanesulfonamido)-N-methylacetamide
CID 110092633
5-cyclopropyl-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 110092648
N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylpyrazine-2-carboxamide
CID 110092632
N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylethanesulfonamide
CID 98129330
N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110092646
N-methyl-N-[[4-[1-methyl-5-(methylaminomethyl)pyrazol-3-yl]cyclohexyl]methyl]-2-propan-2-yloxyacetamide
CID 98129361
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CID 110259661
[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 92624522
2-cyclohexyl-N-methyl-N-[[1-methyl-3-[(3S)-piperidin-3-yl]pyrazol-5-yl]methyl]acetamide
CID 92623846
N-[(4-bromophenyl)methyl]-N-methyl-2-(oxolan-2-yl)acetamide
CID 60769057
N-methyl-2-[(2S)-oxan-2-yl]-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]acetamide
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N-benzyl-N-methyl-2-(oxan-2-yl)acetamide
CID 110409576

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-[(2R)-oxolan-2-yl]acetamide?
The IUPAC name of N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-[(2R)-oxolan-2-yl]acetamide (CID 98129348) is N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-[(2R)-oxolan-2-yl]acetamide.
What is the SMILES notation for N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-[(2R)-oxolan-2-yl]acetamide?
The canonical SMILES for N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-[(2R)-oxolan-2-yl]acetamide is CN(C)Cc1cc(C2CCC(CN(C)C(=O)C[C@H]3CCCO3)CC2)nn1C.
What is the InChIKey of N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-[(2R)-oxolan-2-yl]acetamide?
The InChIKey is UKOJRRYWYCQYHE-FAFZWHIHSA-N. The full InChI is InChI=1S/C21H36N4O2/c1-23(2)15-18-12-20(22-25(18)4)17-9-7-16(8-10-17)14-24(3)21(26)13-19-6-5-11-27-19/h12,16-17,19H,5-11,13-15H2,1-4H3/t16?,17?,19-/m1/s1.
What are the key properties of N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-[(2R)-oxolan-2-yl]acetamide?
N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-[(2R)-oxolan-2-yl]acetamide has a molecular weight of 376.55 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-[(2R)-oxolan-2-yl]acetamide is sourced from PubChem (CID 98129348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).