1-methyl-5-[[(2R)-oxan-2-yl]oxymethyl]pyrazol-3-amine

C10H17N3O2 — CID 124673951

IUPAC1-methyl-5-[[(2R)-oxan-2-yl]oxymethyl]pyrazol-3-amine
SMILESCn1nc(N)cc1CO[C@@H]1CCCCO1
InChIInChI=1S/C10H17N3O2/c1-13-8(6-9(11)12-13)7-15-10-4-2-3-5-14-10/h6,10H,2-5,7H2,1H3,(H2,11,12)/t10-/m1/s1
InChIKeyLGJVQTYRJMIUTE-SNVBAGLBSA-N
MW211.26 g/mol
LogP1.05
Rot. Bonds3

About 1-methyl-5-[[(2R)-oxan-2-yl]oxymethyl]pyrazol-3-amine

1-methyl-5-[[(2R)-oxan-2-yl]oxymethyl]pyrazol-3-amine (PubChem CID 124673951) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-methyl-5-[[(2R)-oxan-2-yl]oxymethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-5-[[(2R)-oxan-2-yl]oxymethyl]pyrazol-3-amine
PubChem CID124673951
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-methyl-5-[[(2R)-oxan-2-yl]oxymethyl]pyrazol-3-amine
SMILESCn1nc(N)cc1CO[C@@H]1CCCCO1
InChIInChI=1S/C10H17N3O2/c1-13-8(6-9(11)12-13)7-15-10-4-2-3-5-14-10/h6,10H,2-5,7H2,1H3,(H2,11,12)/t10-/m1/s1
InChIKeyLGJVQTYRJMIUTE-SNVBAGLBSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-1-methyl-5-(oxan-2-yloxymethyl)pyrazole
CID 162435947
3-(iodomethyl)-1-methyl-5-(oxan-2-yloxymethyl)pyrazole
CID 166940250
5-(oxan-2-yloxymethyl)-1H-pyrazol-3-amine
CID 90166122
1,5-dimethyl-3-(oxan-2-yloxymethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 151692200
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
2-[(3,5-dimethoxyphenyl)methoxy]oxane
CID 173090369
6-bromo-4-fluoro-2-(oxan-2-yloxymethyl)-1-propan-2-ylbenzimidazole
CID 146219887
3-(oxan-2-yloxymethyl)-5-pentyl-1,2-oxazole
CID 66952939
2-[(4-bromo-2-ethylphenyl)methoxy]oxane
CID 86762394
1-[5-[[(2S)-oxan-2-yl]oxymethyl]-1,2-oxazol-3-yl]ethanone
CID 86339553
3-tert-butyl-1-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazol-5-amine
CID 86687174
5-(difluoromethyl)-1-methyl-3-(oxan-2-yloxymethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 152639317

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[(2R)-oxan-2-yl]oxymethyl]pyrazol-3-amine?
The IUPAC name of 1-methyl-5-[[(2R)-oxan-2-yl]oxymethyl]pyrazol-3-amine (CID 124673951) is 1-methyl-5-[[(2R)-oxan-2-yl]oxymethyl]pyrazol-3-amine.
What is the SMILES notation for 1-methyl-5-[[(2R)-oxan-2-yl]oxymethyl]pyrazol-3-amine?
The canonical SMILES for 1-methyl-5-[[(2R)-oxan-2-yl]oxymethyl]pyrazol-3-amine is Cn1nc(N)cc1CO[C@@H]1CCCCO1.
What is the InChIKey of 1-methyl-5-[[(2R)-oxan-2-yl]oxymethyl]pyrazol-3-amine?
The InChIKey is LGJVQTYRJMIUTE-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-13-8(6-9(11)12-13)7-15-10-4-2-3-5-14-10/h6,10H,2-5,7H2,1H3,(H2,11,12)/t10-/m1/s1.
What are the key properties of 1-methyl-5-[[(2R)-oxan-2-yl]oxymethyl]pyrazol-3-amine?
1-methyl-5-[[(2R)-oxan-2-yl]oxymethyl]pyrazol-3-amine has a molecular weight of 211.26 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[(2R)-oxan-2-yl]oxymethyl]pyrazol-3-amine is sourced from PubChem (CID 124673951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).