1-(oxolan-3-ylmethyl)pyrazol-4-amine;hydrochloride

C8H14ClN3O — CID 90484295

IUPAC1-(oxolan-3-ylmethyl)pyrazol-4-amine;hydrochloride
SMILESCl.Nc1cnn(CC2CCOC2)c1
InChIInChI=1S/C8H13N3O.ClH/c9-8-3-10-11(5-8)4-7-1-2-12-6-7;/h3,5,7H,1-2,4,6,9H2;1H
InChIKeyKSXNQQLTHQHFCU-UHFFFAOYSA-N
MW203.67 g/mol
LogP0.92
Rot. Bonds2

About 1-(oxolan-3-ylmethyl)pyrazol-4-amine;hydrochloride

1-(oxolan-3-ylmethyl)pyrazol-4-amine;hydrochloride (PubChem CID 90484295) has the molecular formula C8H14ClN3O and a molecular weight of 203.67 g/mol. Its IUPAC name is 1-(oxolan-3-ylmethyl)pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(oxolan-3-ylmethyl)pyrazol-4-amine;hydrochloride
PubChem CID90484295
Molecular FormulaC8H14ClN3O
Molecular Weight203.67 g/mol
Exact Mass203.08
IUPAC Name1-(oxolan-3-ylmethyl)pyrazol-4-amine;hydrochloride
SMILESCl.Nc1cnn(CC2CCOC2)c1
InChIInChI=1S/C8H13N3O.ClH/c9-8-3-10-11(5-8)4-7-1-2-12-6-7;/h3,5,7H,1-2,4,6,9H2;1H
InChIKeyKSXNQQLTHQHFCU-UHFFFAOYSA-N
XLogP0.92
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-ylmethyl)pyrazol-4-amine;hydrochloride?
The IUPAC name of 1-(oxolan-3-ylmethyl)pyrazol-4-amine;hydrochloride (CID 90484295) is 1-(oxolan-3-ylmethyl)pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-(oxolan-3-ylmethyl)pyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-(oxolan-3-ylmethyl)pyrazol-4-amine;hydrochloride is Cl.Nc1cnn(CC2CCOC2)c1.
What is the InChIKey of 1-(oxolan-3-ylmethyl)pyrazol-4-amine;hydrochloride?
The InChIKey is KSXNQQLTHQHFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.ClH/c9-8-3-10-11(5-8)4-7-1-2-12-6-7;/h3,5,7H,1-2,4,6,9H2;1H.
What are the key properties of 1-(oxolan-3-ylmethyl)pyrazol-4-amine;hydrochloride?
1-(oxolan-3-ylmethyl)pyrazol-4-amine;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-ylmethyl)pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 90484295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).