1-(5-amino-1H-pyrazol-4-yl)-4-(oxolan-2-yl)butan-1-ol

C11H19N3O2 — CID 65361719

IUPAC1-(5-amino-1H-pyrazol-4-yl)-4-(oxolan-2-yl)butan-1-ol
SMILESNc1[nH]ncc1C(O)CCCC1CCCO1
InChIInChI=1S/C11H19N3O2/c12-11-9(7-13-14-11)10(15)5-1-3-8-4-2-6-16-8/h7-8,10,15H,1-6H2,(H3,12,13,14)
InChIKeyAPNHJXCWHZFUDQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.37
Rot. Bonds5

About 1-(5-amino-1H-pyrazol-4-yl)-4-(oxolan-2-yl)butan-1-ol

1-(5-amino-1H-pyrazol-4-yl)-4-(oxolan-2-yl)butan-1-ol (PubChem CID 65361719) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(5-amino-1H-pyrazol-4-yl)-4-(oxolan-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-(5-amino-1H-pyrazol-4-yl)-4-(oxolan-2-yl)butan-1-ol
PubChem CID65361719
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-(5-amino-1H-pyrazol-4-yl)-4-(oxolan-2-yl)butan-1-ol
SMILESNc1[nH]ncc1C(O)CCCC1CCCO1
InChIInChI=1S/C11H19N3O2/c12-11-9(7-13-14-11)10(15)5-1-3-8-4-2-6-16-8/h7-8,10,15H,1-6H2,(H3,12,13,14)
InChIKeyAPNHJXCWHZFUDQ-UHFFFAOYSA-N
XLogP1.37
TPSA84.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-4-(oxolan-2-yl)butan-1-ol?
The IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-4-(oxolan-2-yl)butan-1-ol (CID 65361719) is 1-(5-amino-1H-pyrazol-4-yl)-4-(oxolan-2-yl)butan-1-ol.
What is the SMILES notation for 1-(5-amino-1H-pyrazol-4-yl)-4-(oxolan-2-yl)butan-1-ol?
The canonical SMILES for 1-(5-amino-1H-pyrazol-4-yl)-4-(oxolan-2-yl)butan-1-ol is Nc1[nH]ncc1C(O)CCCC1CCCO1.
What is the InChIKey of 1-(5-amino-1H-pyrazol-4-yl)-4-(oxolan-2-yl)butan-1-ol?
The InChIKey is APNHJXCWHZFUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c12-11-9(7-13-14-11)10(15)5-1-3-8-4-2-6-16-8/h7-8,10,15H,1-6H2,(H3,12,13,14).
What are the key properties of 1-(5-amino-1H-pyrazol-4-yl)-4-(oxolan-2-yl)butan-1-ol?
1-(5-amino-1H-pyrazol-4-yl)-4-(oxolan-2-yl)butan-1-ol has a molecular weight of 225.29 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-pyrazol-4-yl)-4-(oxolan-2-yl)butan-1-ol is sourced from PubChem (CID 65361719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).