N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine

C16H31N5O — CID 51105307

IUPACN-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine
SMILESCOCCN1CCC(NCc2c(C)nn(C)c2N(C)C)CC1
InChIInChI=1S/C16H31N5O/c1-13-15(16(19(2)3)20(4)18-13)12-17-14-6-8-21(9-7-14)10-11-22-5/h14,17H,6-12H2,1-5H3
InChIKeyCTRGRZQQFZJQGW-UHFFFAOYSA-N
MW309.46 g/mol
LogP0.99
Rot. Bonds7

About N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine

N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine (PubChem CID 51105307) has the molecular formula C16H31N5O and a molecular weight of 309.46 g/mol. Its IUPAC name is N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine
PubChem CID51105307
Molecular FormulaC16H31N5O
Molecular Weight309.46 g/mol
Exact Mass309.25
IUPAC NameN-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine
SMILESCOCCN1CCC(NCc2c(C)nn(C)c2N(C)C)CC1
InChIInChI=1S/C16H31N5O/c1-13-15(16(19(2)3)20(4)18-13)12-17-14-6-8-21(9-7-14)10-11-22-5/h14,17H,6-12H2,1-5H3
InChIKeyCTRGRZQQFZJQGW-UHFFFAOYSA-N
XLogP0.99
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1,3-Dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 51104687
1-cyclopropyl-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine
CID 51104838
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]methanamine
CID 51105035
N-cyclohexyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide
CID 51105188
(2R)-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol
CID 51105245
1-tert-butyl-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine
CID 53539935
N-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine
CID 53540028
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 53543147
[1-methyl-5-morpholino-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine
CID 1485639
4-[(2-methoxyethylamino)methyl]-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 63058817
N-ethyl-4-[(2-methoxyethylamino)methyl]-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 63071495
4-[(2-methoxyethylamino)methyl]-N,1,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrazol-5-amine
CID 65537308

Frequently Asked Questions

What is the IUPAC name of N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine?
The IUPAC name of N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine (CID 51105307) is N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine.
What is the SMILES notation for N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine?
The canonical SMILES for N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine is COCCN1CCC(NCc2c(C)nn(C)c2N(C)C)CC1.
What is the InChIKey of N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine?
The InChIKey is CTRGRZQQFZJQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5O/c1-13-15(16(19(2)3)20(4)18-13)12-17-14-6-8-21(9-7-14)10-11-22-5/h14,17H,6-12H2,1-5H3.
What are the key properties of N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine?
N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine has a molecular weight of 309.46 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine is sourced from PubChem (CID 51105307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).