3-(1H-pyrazol-4-yl)propan-1-amine;dihydrochloride

C6H13Cl2N3 — CID 22754933

IUPAC3-(1H-pyrazol-4-yl)propan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCc1cn[nH]c1
InChIInChI=1S/C6H11N3.2ClH/c7-3-1-2-6-4-8-9-5-6;;/h4-5H,1-3,7H2,(H,8,9);2*1H
InChIKeyFYRUIXNJKZJVHO-UHFFFAOYSA-N
MW198.10 g/mol
LogP1.14
Rot. Bonds3

About 3-(1H-pyrazol-4-yl)propan-1-amine;dihydrochloride

3-(1H-pyrazol-4-yl)propan-1-amine;dihydrochloride (PubChem CID 22754933) has the molecular formula C6H13Cl2N3 and a molecular weight of 198.10 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yl)propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yl)propan-1-amine;dihydrochloride
PubChem CID22754933
Molecular FormulaC6H13Cl2N3
Molecular Weight198.10 g/mol
Exact Mass197.05
IUPAC Name3-(1H-pyrazol-4-yl)propan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCc1cn[nH]c1
InChIInChI=1S/C6H11N3.2ClH/c7-3-1-2-6-4-8-9-5-6;;/h4-5H,1-3,7H2,(H,8,9);2*1H
InChIKeyFYRUIXNJKZJVHO-UHFFFAOYSA-N
XLogP1.14
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.10
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yl)propan-1-amine;dihydrochloride?
The IUPAC name of 3-(1H-pyrazol-4-yl)propan-1-amine;dihydrochloride (CID 22754933) is 3-(1H-pyrazol-4-yl)propan-1-amine;dihydrochloride.
What is the SMILES notation for 3-(1H-pyrazol-4-yl)propan-1-amine;dihydrochloride?
The canonical SMILES for 3-(1H-pyrazol-4-yl)propan-1-amine;dihydrochloride is Cl.Cl.NCCCc1cn[nH]c1.
What is the InChIKey of 3-(1H-pyrazol-4-yl)propan-1-amine;dihydrochloride?
The InChIKey is FYRUIXNJKZJVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.2ClH/c7-3-1-2-6-4-8-9-5-6;;/h4-5H,1-3,7H2,(H,8,9);2*1H.
What are the key properties of 3-(1H-pyrazol-4-yl)propan-1-amine;dihydrochloride?
3-(1H-pyrazol-4-yl)propan-1-amine;dihydrochloride has a molecular weight of 198.10 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-yl)propan-1-amine;dihydrochloride is sourced from PubChem (CID 22754933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).