N-(oxan-2-yl)-1H-pyrazol-4-amine

C8H13N3O — CID 69410298

IUPACN-(oxan-2-yl)-1H-pyrazol-4-amine
SMILESc1n[nH]cc1NC1CCCCO1
InChIInChI=1S/C8H13N3O/c1-2-4-12-8(3-1)11-7-5-9-10-6-7/h5-6,8,11H,1-4H2,(H,9,10)
InChIKeyMVVAQPZBZCVRHD-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.35
Rot. Bonds2

About N-(oxan-2-yl)-1H-pyrazol-4-amine

N-(oxan-2-yl)-1H-pyrazol-4-amine (PubChem CID 69410298) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(oxan-2-yl)-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(oxan-2-yl)-1H-pyrazol-4-amine
PubChem CID69410298
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-(oxan-2-yl)-1H-pyrazol-4-amine
SMILESc1n[nH]cc1NC1CCCCO1
InChIInChI=1S/C8H13N3O/c1-2-4-12-8(3-1)11-7-5-9-10-6-7/h5-6,8,11H,1-4H2,(H,9,10)
InChIKeyMVVAQPZBZCVRHD-UHFFFAOYSA-N
XLogP1.35
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-yl)-1H-pyrazol-4-amine?
The IUPAC name of N-(oxan-2-yl)-1H-pyrazol-4-amine (CID 69410298) is N-(oxan-2-yl)-1H-pyrazol-4-amine.
What is the SMILES notation for N-(oxan-2-yl)-1H-pyrazol-4-amine?
The canonical SMILES for N-(oxan-2-yl)-1H-pyrazol-4-amine is c1n[nH]cc1NC1CCCCO1.
What is the InChIKey of N-(oxan-2-yl)-1H-pyrazol-4-amine?
The InChIKey is MVVAQPZBZCVRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-4-12-8(3-1)11-7-5-9-10-6-7/h5-6,8,11H,1-4H2,(H,9,10).
What are the key properties of N-(oxan-2-yl)-1H-pyrazol-4-amine?
N-(oxan-2-yl)-1H-pyrazol-4-amine has a molecular weight of 167.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-yl)-1H-pyrazol-4-amine is sourced from PubChem (CID 69410298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).