1H-pyrazol-5-ylmethanamine;dihydrochloride

C4H9Cl2N3 — CID 23055691

IUPAC1H-pyrazol-5-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1ccn[nH]1
InChIInChI=1S/C4H7N3.2ClH/c5-3-4-1-2-6-7-4;;/h1-2H,3,5H2,(H,6,7);2*1H
InChIKeyZQIIUAXAEOUVGI-UHFFFAOYSA-N
MW170.04 g/mol
LogP0.71
Rot. Bonds1

About 1H-pyrazol-5-ylmethanamine;dihydrochloride

1H-pyrazol-5-ylmethanamine;dihydrochloride (PubChem CID 23055691) has the molecular formula C4H9Cl2N3 and a molecular weight of 170.04 g/mol. Its IUPAC name is 1H-pyrazol-5-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1H-pyrazol-5-ylmethanamine;dihydrochloride
PubChem CID23055691
Molecular FormulaC4H9Cl2N3
Molecular Weight170.04 g/mol
Exact Mass169.02
IUPAC Name1H-pyrazol-5-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1ccn[nH]1
InChIInChI=1S/C4H7N3.2ClH/c5-3-4-1-2-6-7-4;;/h1-2H,3,5H2,(H,6,7);2*1H
InChIKeyZQIIUAXAEOUVGI-UHFFFAOYSA-N
XLogP0.71
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.04
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-ylmethanamine;dihydrochloride?
The IUPAC name of 1H-pyrazol-5-ylmethanamine;dihydrochloride (CID 23055691) is 1H-pyrazol-5-ylmethanamine;dihydrochloride.
What is the SMILES notation for 1H-pyrazol-5-ylmethanamine;dihydrochloride?
The canonical SMILES for 1H-pyrazol-5-ylmethanamine;dihydrochloride is Cl.Cl.NCc1ccn[nH]1.
What is the InChIKey of 1H-pyrazol-5-ylmethanamine;dihydrochloride?
The InChIKey is ZQIIUAXAEOUVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3.2ClH/c5-3-4-1-2-6-7-4;;/h1-2H,3,5H2,(H,6,7);2*1H.
What are the key properties of 1H-pyrazol-5-ylmethanamine;dihydrochloride?
1H-pyrazol-5-ylmethanamine;dihydrochloride has a molecular weight of 170.04 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-ylmethanamine;dihydrochloride is sourced from PubChem (CID 23055691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).