N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylpyrazine-2-carboxamide

C20H30N6O — CID 110092632

IUPACN-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylpyrazine-2-carboxamide
SMILESCN(C)Cc1cc(C2CCC(CN(C)C(=O)c3cnccn3)CC2)nn1C
InChIInChI=1S/C20H30N6O/c1-24(2)14-17-11-18(23-26(17)4)16-7-5-15(6-8-16)13-25(3)20(27)19-12-21-9-10-22-19/h9-12,15-16H,5-8,13-14H2,1-4H3
InChIKeyHHWMRXWNUAMXFU-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.32
Rot. Bonds6

About N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylpyrazine-2-carboxamide

N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylpyrazine-2-carboxamide (PubChem CID 110092632) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylpyrazine-2-carboxamide
PubChem CID110092632
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC NameN-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylpyrazine-2-carboxamide
SMILESCN(C)Cc1cc(C2CCC(CN(C)C(=O)c3cnccn3)CC2)nn1C
InChIInChI=1S/C20H30N6O/c1-24(2)14-17-11-18(23-26(17)4)16-7-5-15(6-8-16)13-25(3)20(27)19-12-21-9-10-22-19/h9-12,15-16H,5-8,13-14H2,1-4H3
InChIKeyHHWMRXWNUAMXFU-UHFFFAOYSA-N
XLogP2.32
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110092646
N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-2-(methanesulfonamido)-N-methylacetamide
CID 110092633
(2R)-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-phenylpropanamide
CID 125011836
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-methyl-2-[(2R)-oxolan-2-yl]acetamide
CID 98129348
[(3R)-3-[5-(2-hydroxyethyl)-1-methylpyrazol-3-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95824177
N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrazine-2-carboxamide
CID 97164409
N-methyl-N-(piperidin-3-ylmethyl)pyrazine-2-carboxamide
CID 71642090
[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 92624522
[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-piperidin-3-ylmethanone
CID 110259661
N-methyl-N-[[4-[1-methyl-5-(methylaminomethyl)pyrazol-3-yl]cyclohexyl]methyl]-2-propan-2-yloxyacetamide
CID 98129361

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylpyrazine-2-carboxamide (CID 110092632) is N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylpyrazine-2-carboxamide is CN(C)Cc1cc(C2CCC(CN(C)C(=O)c3cnccn3)CC2)nn1C.
What is the InChIKey of N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is HHWMRXWNUAMXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-24(2)14-17-11-18(23-26(17)4)16-7-5-15(6-8-16)13-25(3)20(27)19-12-21-9-10-22-19/h9-12,15-16H,5-8,13-14H2,1-4H3.
What are the key properties of N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylpyrazine-2-carboxamide?
N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 110092632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).