1-(2,2-dimethylpropyl)pyrazol-3-amine;hydrochloride

C8H16ClN3 — CID 138987685

IUPAC1-(2,2-dimethylpropyl)pyrazol-3-amine;hydrochloride
SMILESCC(C)(C)Cn1ccc(N)n1.Cl
InChIInChI=1S/C8H15N3.ClH/c1-8(2,3)6-11-5-4-7(9)10-11;/h4-5H,6H2,1-3H3,(H2,9,10);1H
InChIKeyKXMFGGHJOOGANC-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.93
Rot. Bonds1

About 1-(2,2-dimethylpropyl)pyrazol-3-amine;hydrochloride

1-(2,2-dimethylpropyl)pyrazol-3-amine;hydrochloride (PubChem CID 138987685) has the molecular formula C8H16ClN3 and a molecular weight of 189.69 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)pyrazol-3-amine;hydrochloride
PubChem CID138987685
Molecular FormulaC8H16ClN3
Molecular Weight189.69 g/mol
Exact Mass189.10
IUPAC Name1-(2,2-dimethylpropyl)pyrazol-3-amine;hydrochloride
SMILESCC(C)(C)Cn1ccc(N)n1.Cl
InChIInChI=1S/C8H15N3.ClH/c1-8(2,3)6-11-5-4-7(9)10-11;/h4-5H,6H2,1-3H3,(H2,9,10);1H
InChIKeyKXMFGGHJOOGANC-UHFFFAOYSA-N
XLogP1.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)pyrazol-3-amine;hydrochloride?
The IUPAC name of 1-(2,2-dimethylpropyl)pyrazol-3-amine;hydrochloride (CID 138987685) is 1-(2,2-dimethylpropyl)pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 1-(2,2-dimethylpropyl)pyrazol-3-amine;hydrochloride?
The canonical SMILES for 1-(2,2-dimethylpropyl)pyrazol-3-amine;hydrochloride is CC(C)(C)Cn1ccc(N)n1.Cl.
What is the InChIKey of 1-(2,2-dimethylpropyl)pyrazol-3-amine;hydrochloride?
The InChIKey is KXMFGGHJOOGANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3.ClH/c1-8(2,3)6-11-5-4-7(9)10-11;/h4-5H,6H2,1-3H3,(H2,9,10);1H.
What are the key properties of 1-(2,2-dimethylpropyl)pyrazol-3-amine;hydrochloride?
1-(2,2-dimethylpropyl)pyrazol-3-amine;hydrochloride has a molecular weight of 189.69 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 138987685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).