5-methoxy-1-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-3-amine

C12H22N4O — CID 114255682

IUPAC5-methoxy-1-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-3-amine
SMILESCOc1cc(NCC2CCN(C)CC2)nn1C
InChIInChI=1S/C12H22N4O/c1-15-6-4-10(5-7-15)9-13-11-8-12(17-3)16(2)14-11/h8,10H,4-7,9H2,1-3H3,(H,13,14)
InChIKeyGMQSQXFEUMHCRP-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.18
Rot. Bonds4

About 5-methoxy-1-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-3-amine

5-methoxy-1-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-3-amine (PubChem CID 114255682) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-methoxy-1-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name5-methoxy-1-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-3-amine
PubChem CID114255682
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-methoxy-1-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-3-amine
SMILESCOc1cc(NCC2CCN(C)CC2)nn1C
InChIInChI=1S/C12H22N4O/c1-15-6-4-10(5-7-15)9-13-11-8-12(17-3)16(2)14-11/h8,10H,4-7,9H2,1-3H3,(H,13,14)
InChIKeyGMQSQXFEUMHCRP-UHFFFAOYSA-N
XLogP1.18
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-1-methyl-N-(2-piperidin-4-ylethyl)pyrazol-3-amine
CID 114256042
2-[(5-methoxy-1-methylpyrazol-3-yl)amino]ethanol
CID 130168341
4,6-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-2-amine
CID 115355062
4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 80812495
1,5-dimethyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine
CID 115868565
6-N,2-diethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine
CID 80935176
4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80812575
5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 114869240
4-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine
CID 79176691
2-N,6-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 80812413
2,5-dichloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 104726497
5-methoxy-1-methyl-N-(3-piperidin-2-ylpropyl)pyrazol-3-amine
CID 114256072

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-3-amine?
The IUPAC name of 5-methoxy-1-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-3-amine (CID 114255682) is 5-methoxy-1-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 5-methoxy-1-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 5-methoxy-1-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-3-amine is COc1cc(NCC2CCN(C)CC2)nn1C.
What is the InChIKey of 5-methoxy-1-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-3-amine?
The InChIKey is GMQSQXFEUMHCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-15-6-4-10(5-7-15)9-13-11-8-12(17-3)16(2)14-11/h8,10H,4-7,9H2,1-3H3,(H,13,14).
What are the key properties of 5-methoxy-1-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-3-amine?
5-methoxy-1-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-3-amine has a molecular weight of 238.33 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 114255682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).