2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine;dihydrochloride

C9H19Cl2N3 — CID 54593542

IUPAC2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine;dihydrochloride
SMILESCl.Cl.Cn1cc(C(N)C(C)(C)C)cn1
InChIInChI=1S/C9H17N3.2ClH/c1-9(2,3)8(10)7-5-11-12(4)6-7;;/h5-6,8H,10H2,1-4H3;2*1H
InChIKeyGSALGZQUQVVIFH-UHFFFAOYSA-N
MW240.18 g/mol
LogP2.31
Rot. Bonds1

About 2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine;dihydrochloride

2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine;dihydrochloride (PubChem CID 54593542) has the molecular formula C9H19Cl2N3 and a molecular weight of 240.18 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine;dihydrochloride
PubChem CID54593542
Molecular FormulaC9H19Cl2N3
Molecular Weight240.18 g/mol
Exact Mass239.10
IUPAC Name2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine;dihydrochloride
SMILESCl.Cl.Cn1cc(C(N)C(C)(C)C)cn1
InChIInChI=1S/C9H17N3.2ClH/c1-9(2,3)8(10)7-5-11-12(4)6-7;;/h5-6,8H,10H2,1-4H3;2*1H
InChIKeyGSALGZQUQVVIFH-UHFFFAOYSA-N
XLogP2.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 91647633
rac-((1R,2R)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropyl)methanamine dihydrochloride
CID 129841821
4-(1-ethyl-1H-pyrazol-4-yl)piperidine
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methyl(1-(1-methyl-1H-pyrazol-4-yl)ethyl)amine
CID 23005793
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2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 43124222
alpha,1-Dimethyl-1H-pyrazole-4-ethanamine
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CID 154727281

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine;dihydrochloride?
The IUPAC name of 2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine;dihydrochloride (CID 54593542) is 2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine;dihydrochloride.
What is the SMILES notation for 2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine;dihydrochloride?
The canonical SMILES for 2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine;dihydrochloride is Cl.Cl.Cn1cc(C(N)C(C)(C)C)cn1.
What is the InChIKey of 2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine;dihydrochloride?
The InChIKey is GSALGZQUQVVIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3.2ClH/c1-9(2,3)8(10)7-5-11-12(4)6-7;;/h5-6,8H,10H2,1-4H3;2*1H.
What are the key properties of 2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine;dihydrochloride?
2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine;dihydrochloride has a molecular weight of 240.18 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine;dihydrochloride is sourced from PubChem (CID 54593542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).