5-(oxan-2-yloxymethyl)-1H-pyrazol-3-amine

C9H15N3O2 — CID 90166122

IUPAC5-(oxan-2-yloxymethyl)-1H-pyrazol-3-amine
SMILESNc1cc(COC2CCCCO2)[nH]n1
InChIInChI=1S/C9H15N3O2/c10-8-5-7(11-12-8)6-14-9-3-1-2-4-13-9/h5,9H,1-4,6H2,(H3,10,11,12)
InChIKeySXGMHWODTSDJCD-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.04
Rot. Bonds3

About 5-(oxan-2-yloxymethyl)-1H-pyrazol-3-amine

5-(oxan-2-yloxymethyl)-1H-pyrazol-3-amine (PubChem CID 90166122) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-(oxan-2-yloxymethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(oxan-2-yloxymethyl)-1H-pyrazol-3-amine
PubChem CID90166122
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-(oxan-2-yloxymethyl)-1H-pyrazol-3-amine
SMILESNc1cc(COC2CCCCO2)[nH]n1
InChIInChI=1S/C9H15N3O2/c10-8-5-7(11-12-8)6-14-9-3-1-2-4-13-9/h5,9H,1-4,6H2,(H3,10,11,12)
InChIKeySXGMHWODTSDJCD-UHFFFAOYSA-N
XLogP1.04
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-[[(2R)-oxan-2-yl]oxymethyl]pyrazol-3-amine
CID 124673951
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
4-bromo-5-(oxan-2-yloxymethyl)-1H-pyrazole
CID 139312696
5-(cycloheptylmethyl)-1H-pyrazol-3-amine
CID 114458019
[3-(oxan-2-yloxymethyl)-2H-indazol-5-yl]methanol
CID 66745041
4-(oxan-2-yloxymethyl)-3-(trifluoromethyl)aniline
CID 91433320
2-[(3,5-dimethoxyphenyl)methoxy]oxane
CID 173090369
[3-[4-(oxan-2-yloxymethyl)-2-oxabicyclo[2.2.2]octan-1-yl]-1H-pyrazol-5-yl]methanol
CID 167497349
2-chloro-4-(oxan-2-yloxymethyl)pyridine
CID 86090104
3-(cyclopropylmethyl)-5-(oxan-2-yloxymethyl)-1,2-oxazole
CID 164718904
[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate
CID 151097937
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-2-yloxymethyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(oxan-2-yloxymethyl)-1H-pyrazol-3-amine (CID 90166122) is 5-(oxan-2-yloxymethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(oxan-2-yloxymethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(oxan-2-yloxymethyl)-1H-pyrazol-3-amine is Nc1cc(COC2CCCCO2)[nH]n1.
What is the InChIKey of 5-(oxan-2-yloxymethyl)-1H-pyrazol-3-amine?
The InChIKey is SXGMHWODTSDJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c10-8-5-7(11-12-8)6-14-9-3-1-2-4-13-9/h5,9H,1-4,6H2,(H3,10,11,12).
What are the key properties of 5-(oxan-2-yloxymethyl)-1H-pyrazol-3-amine?
5-(oxan-2-yloxymethyl)-1H-pyrazol-3-amine has a molecular weight of 197.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-2-yloxymethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 90166122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).