(5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride

C5H11Cl2N3 — CID 17191327

IUPAC(5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride
SMILESCc1cc(CN)n[nH]1.Cl.Cl
InChIInChI=1S/C5H9N3.2ClH/c1-4-2-5(3-6)8-7-4;;/h2H,3,6H2,1H3,(H,7,8);2*1H
InChIKeyCPCNAYPZCHTJDL-UHFFFAOYSA-N
MW184.07 g/mol
LogP1.02
Rot. Bonds1

About (5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride

(5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride (PubChem CID 17191327) has the molecular formula C5H11Cl2N3 and a molecular weight of 184.07 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride
PubChem CID17191327
Molecular FormulaC5H11Cl2N3
Molecular Weight184.07 g/mol
Exact Mass183.03
IUPAC Name(5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride
SMILESCc1cc(CN)n[nH]1.Cl.Cl
InChIInChI=1S/C5H9N3.2ClH/c1-4-2-5(3-6)8-7-4;;/h2H,3,6H2,1H3,(H,7,8);2*1H
InChIKeyCPCNAYPZCHTJDL-UHFFFAOYSA-N
XLogP1.02
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.07
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride?
The IUPAC name of (5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride (CID 17191327) is (5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride.
What is the SMILES notation for (5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride?
The canonical SMILES for (5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride is Cc1cc(CN)n[nH]1.Cl.Cl.
What is the InChIKey of (5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride?
The InChIKey is CPCNAYPZCHTJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.2ClH/c1-4-2-5(3-6)8-7-4;;/h2H,3,6H2,1H3,(H,7,8);2*1H.
What are the key properties of (5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride?
(5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride has a molecular weight of 184.07 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride is sourced from PubChem (CID 17191327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).