1-(2-methoxyethyl)-N-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine

C11H19N3O2 — CID 107235162

IUPAC1-(2-methoxyethyl)-N-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine
SMILESCOCCn1cc(NCC2(C)COC2)cn1
InChIInChI=1S/C11H19N3O2/c1-11(8-16-9-11)7-12-10-5-13-14(6-10)3-4-15-2/h5-6,12H,3-4,7-9H2,1-2H3
InChIKeyWOJUGEJRXUKXQO-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.98
Rot. Bonds6

About 1-(2-methoxyethyl)-N-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine

1-(2-methoxyethyl)-N-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine (PubChem CID 107235162) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine
PubChem CID107235162
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-(2-methoxyethyl)-N-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine
SMILESCOCCn1cc(NCC2(C)COC2)cn1
InChIInChI=1S/C11H19N3O2/c1-11(8-16-9-11)7-12-10-5-13-14(6-10)3-4-15-2/h5-6,12H,3-4,7-9H2,1-2H3
InChIKeyWOJUGEJRXUKXQO-UHFFFAOYSA-N
XLogP0.98
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729152
1-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 43728903
1-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrazol-4-amine
CID 43728977
1-(2-methoxyethyl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-amine
CID 81312279
N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidin-4-amine
CID 61017064
3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrrolidine-2,5-dione
CID 54962543
1-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]methanesulfonamide
CID 63664953
N-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 79420154
1-(2-methoxyethyl)-N-(1-oxothian-4-yl)pyrazol-4-amine
CID 54981333
N-[(3,4-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43787752
1-(2-methoxyethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
CID 61170822
tert-butyl N-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]ethyl]carbamate
CID 115735732

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-(2-methoxyethyl)-N-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine (CID 107235162) is 1-(2-methoxyethyl)-N-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-(2-methoxyethyl)-N-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine is COCCn1cc(NCC2(C)COC2)cn1.
What is the InChIKey of 1-(2-methoxyethyl)-N-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine?
The InChIKey is WOJUGEJRXUKXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(8-16-9-11)7-12-10-5-13-14(6-10)3-4-15-2/h5-6,12H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-N-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine?
1-(2-methoxyethyl)-N-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine has a molecular weight of 225.29 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 107235162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).