3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride

C9H18ClN3 — CID 51051927

IUPAC3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride
SMILESCc1nn(CC(C)C)c(C)c1N.Cl
InChIInChI=1S/C9H17N3.ClH/c1-6(2)5-12-8(4)9(10)7(3)11-12;/h6H,5,10H2,1-4H3;1H
InChIKeyTTWMSXFZOSODCE-UHFFFAOYSA-N
MW203.72 g/mol
LogP2.16
Rot. Bonds2

About 3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride

3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride (PubChem CID 51051927) has the molecular formula C9H18ClN3 and a molecular weight of 203.72 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride
PubChem CID51051927
Molecular FormulaC9H18ClN3
Molecular Weight203.72 g/mol
Exact Mass203.12
IUPAC Name3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride
SMILESCc1nn(CC(C)C)c(C)c1N.Cl
InChIInChI=1S/C9H17N3.ClH/c1-6(2)5-12-8(4)9(10)7(3)11-12;/h6H,5,10H2,1-4H3;1H
InChIKeyTTWMSXFZOSODCE-UHFFFAOYSA-N
XLogP2.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.72
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride?
The IUPAC name of 3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride (CID 51051927) is 3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride?
The canonical SMILES for 3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride is Cc1nn(CC(C)C)c(C)c1N.Cl.
What is the InChIKey of 3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride?
The InChIKey is TTWMSXFZOSODCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3.ClH/c1-6(2)5-12-8(4)9(10)7(3)11-12;/h6H,5,10H2,1-4H3;1H.
What are the key properties of 3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride?
3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride has a molecular weight of 203.72 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 51051927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).