N,1,3-trimethyl-4-[(3-methylmorpholin-4-yl)methyl]pyrazol-5-amine

C12H22N4O — CID 62182581

IUPACN,1,3-trimethyl-4-[(3-methylmorpholin-4-yl)methyl]pyrazol-5-amine
SMILESCNc1c(CN2CCOCC2C)c(C)nn1C
InChIInChI=1S/C12H22N4O/c1-9-8-17-6-5-16(9)7-11-10(2)14-15(4)12(11)13-3/h9,13H,5-8H2,1-4H3
InChIKeyNLKAYJVIBRSZHI-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.99
Rot. Bonds3

About N,1,3-trimethyl-4-[(3-methylmorpholin-4-yl)methyl]pyrazol-5-amine

N,1,3-trimethyl-4-[(3-methylmorpholin-4-yl)methyl]pyrazol-5-amine (PubChem CID 62182581) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N,1,3-trimethyl-4-[(3-methylmorpholin-4-yl)methyl]pyrazol-5-amine.

Molecular Properties

Compound NameN,1,3-trimethyl-4-[(3-methylmorpholin-4-yl)methyl]pyrazol-5-amine
PubChem CID62182581
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN,1,3-trimethyl-4-[(3-methylmorpholin-4-yl)methyl]pyrazol-5-amine
SMILESCNc1c(CN2CCOCC2C)c(C)nn1C
InChIInChI=1S/C12H22N4O/c1-9-8-17-6-5-16(9)7-11-10(2)14-15(4)12(11)13-3/h9,13H,5-8H2,1-4H3
InChIKeyNLKAYJVIBRSZHI-UHFFFAOYSA-N
XLogP0.99
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1,3-dimethyl-4-[(3-methylmorpholin-4-yl)methyl]pyrazol-5-yl]hydrazine
CID 62246236
1,3-dimethyl-4-[(3-methylmorpholin-4-yl)methyl]-N-propylpyrazol-5-amine
CID 55046406
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylmorpholine
CID 60796849
N-methyl-6-[(3-methylmorpholin-4-yl)methyl]pyridin-2-amine
CID 79242723
[1,3-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]pyrazol-5-yl]hydrazine
CID 62244988
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethylmorpholine
CID 60795842
methyl 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]morpholine-3-carboxylate
CID 115752698
1-[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]morpholin-3-yl]-N-methylmethanamine
CID 83099899
N,1,3-trimethyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrazol-5-amine
CID 62195408
5-[(3-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79772681
2-(3-methylmorpholin-4-yl)ethanol
CID 43542486
2-[(3S)-3-methylmorpholin-4-yl]ethanol
CID 67078018

Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-4-[(3-methylmorpholin-4-yl)methyl]pyrazol-5-amine?
The IUPAC name of N,1,3-trimethyl-4-[(3-methylmorpholin-4-yl)methyl]pyrazol-5-amine (CID 62182581) is N,1,3-trimethyl-4-[(3-methylmorpholin-4-yl)methyl]pyrazol-5-amine.
What is the SMILES notation for N,1,3-trimethyl-4-[(3-methylmorpholin-4-yl)methyl]pyrazol-5-amine?
The canonical SMILES for N,1,3-trimethyl-4-[(3-methylmorpholin-4-yl)methyl]pyrazol-5-amine is CNc1c(CN2CCOCC2C)c(C)nn1C.
What is the InChIKey of N,1,3-trimethyl-4-[(3-methylmorpholin-4-yl)methyl]pyrazol-5-amine?
The InChIKey is NLKAYJVIBRSZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9-8-17-6-5-16(9)7-11-10(2)14-15(4)12(11)13-3/h9,13H,5-8H2,1-4H3.
What are the key properties of N,1,3-trimethyl-4-[(3-methylmorpholin-4-yl)methyl]pyrazol-5-amine?
N,1,3-trimethyl-4-[(3-methylmorpholin-4-yl)methyl]pyrazol-5-amine has a molecular weight of 238.33 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-4-[(3-methylmorpholin-4-yl)methyl]pyrazol-5-amine is sourced from PubChem (CID 62182581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).