5-(oxan-3-yl)-1H-pyrazol-4-amine

C8H13N3O — CID 154928122

IUPAC5-(oxan-3-yl)-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1C1CCCOC1
InChIInChI=1S/C8H13N3O/c9-7-4-10-11-8(7)6-2-1-3-12-5-6/h4,6H,1-3,5,9H2,(H,10,11)
InChIKeyXZSTVNCKEIWDPM-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.89
Rot. Bonds1

About 5-(oxan-3-yl)-1H-pyrazol-4-amine

5-(oxan-3-yl)-1H-pyrazol-4-amine (PubChem CID 154928122) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-(oxan-3-yl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-(oxan-3-yl)-1H-pyrazol-4-amine
PubChem CID154928122
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-(oxan-3-yl)-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1C1CCCOC1
InChIInChI=1S/C8H13N3O/c9-7-4-10-11-8(7)6-2-1-3-12-5-6/h4,6H,1-3,5,9H2,(H,10,11)
InChIKeyXZSTVNCKEIWDPM-UHFFFAOYSA-N
XLogP0.89
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(oxolan-2-yl)-1H-pyrazol-4-amine
CID 130577682
5-(oxan-3-yl)-1H-pyrazol-3-amine
CID 63015423
5-(oxan-3-yl)-1H-1,2,4-triazole
CID 172992337
5-(oxan-3-yl)-4-pyridin-3-yl-1H-pyrazol-3-amine
CID 80522931
5-bromo-4-(oxan-3-yl)furan-3-amine
CID 82384749
2-amino-6-(oxan-3-yl)-1H-1,3,5-triazine-4-thione
CID 83241537
4-(2,4-difluorophenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine
CID 64559125
[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-[4-(oxan-4-yl)phenyl]methanone
CID 154785572
2-(oxan-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821401
5-bromo-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 66315122
4-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 104749835
5-amino-N-(oxan-3-yl)-1H-pyrazole-4-carboxamide
CID 63361518

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-3-yl)-1H-pyrazol-4-amine?
The IUPAC name of 5-(oxan-3-yl)-1H-pyrazol-4-amine (CID 154928122) is 5-(oxan-3-yl)-1H-pyrazol-4-amine.
What is the SMILES notation for 5-(oxan-3-yl)-1H-pyrazol-4-amine?
The canonical SMILES for 5-(oxan-3-yl)-1H-pyrazol-4-amine is Nc1cn[nH]c1C1CCCOC1.
What is the InChIKey of 5-(oxan-3-yl)-1H-pyrazol-4-amine?
The InChIKey is XZSTVNCKEIWDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-7-4-10-11-8(7)6-2-1-3-12-5-6/h4,6H,1-3,5,9H2,(H,10,11).
What are the key properties of 5-(oxan-3-yl)-1H-pyrazol-4-amine?
5-(oxan-3-yl)-1H-pyrazol-4-amine has a molecular weight of 167.21 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-3-yl)-1H-pyrazol-4-amine is sourced from PubChem (CID 154928122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).