1-methyl-3-(oxan-4-ylmethoxy)pyrazol-4-amine

C10H17N3O2 — CID 103079156

IUPAC1-methyl-3-(oxan-4-ylmethoxy)pyrazol-4-amine
SMILESCn1cc(N)c(OCC2CCOCC2)n1
InChIInChI=1S/C10H17N3O2/c1-13-6-9(11)10(12-13)15-7-8-2-4-14-5-3-8/h6,8H,2-5,7,11H2,1H3
InChIKeyYTCVJFZCGCJAAQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.81
Rot. Bonds3

About 1-methyl-3-(oxan-4-ylmethoxy)pyrazol-4-amine

1-methyl-3-(oxan-4-ylmethoxy)pyrazol-4-amine (PubChem CID 103079156) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-methyl-3-(oxan-4-ylmethoxy)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-(oxan-4-ylmethoxy)pyrazol-4-amine
PubChem CID103079156
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-methyl-3-(oxan-4-ylmethoxy)pyrazol-4-amine
SMILESCn1cc(N)c(OCC2CCOCC2)n1
InChIInChI=1S/C10H17N3O2/c1-13-6-9(11)10(12-13)15-7-8-2-4-14-5-3-8/h6,8H,2-5,7,11H2,1H3
InChIKeyYTCVJFZCGCJAAQ-UHFFFAOYSA-N
XLogP0.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropylmethoxy)-1-methylpyrazol-4-amine
CID 103079090
1-methyl-3-N-(oxan-4-ylmethyl)pyrazole-3,4-diamine
CID 103078529
1-methyl-3-propoxypyrazol-4-amine;hydrochloride
CID 102565575
3-(4,4-dimethylcyclohexyl)oxy-1-methylpyrazol-4-amine
CID 103079230
5-bromo-6-(oxan-4-ylmethoxy)pyridin-3-amine
CID 79534671
4-chloro-3-methyl-2-(oxan-4-ylmethoxy)aniline
CID 112740954
2-(oxan-4-ylmethoxy)pyridin-4-amine
CID 62381987
1-methyl-3-(2-piperidin-1-ylethoxy)pyrazol-4-amine
CID 103079138
1-methyl-3-[(3S)-4-methyloxolan-3-yl]oxypyrazol-4-amine
CID 166528044
5-methyl-2-(oxolan-3-ylmethoxy)pyridin-3-amine
CID 66280449
[6-methyl-2-(oxan-4-ylmethoxy)-3-pyridinyl]methanamine
CID 62384187
3-methyl-5-(oxan-4-ylmethoxy)-1-propan-2-ylpyrazol-4-amine
CID 66026170

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(oxan-4-ylmethoxy)pyrazol-4-amine?
The IUPAC name of 1-methyl-3-(oxan-4-ylmethoxy)pyrazol-4-amine (CID 103079156) is 1-methyl-3-(oxan-4-ylmethoxy)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-(oxan-4-ylmethoxy)pyrazol-4-amine?
The canonical SMILES for 1-methyl-3-(oxan-4-ylmethoxy)pyrazol-4-amine is Cn1cc(N)c(OCC2CCOCC2)n1.
What is the InChIKey of 1-methyl-3-(oxan-4-ylmethoxy)pyrazol-4-amine?
The InChIKey is YTCVJFZCGCJAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-13-6-9(11)10(12-13)15-7-8-2-4-14-5-3-8/h6,8H,2-5,7,11H2,1H3.
What are the key properties of 1-methyl-3-(oxan-4-ylmethoxy)pyrazol-4-amine?
1-methyl-3-(oxan-4-ylmethoxy)pyrazol-4-amine has a molecular weight of 211.26 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(oxan-4-ylmethoxy)pyrazol-4-amine is sourced from PubChem (CID 103079156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).