N-methyl-1-(1H-pyrazol-4-yl)methanamine;dihydrochloride

C5H11Cl2N3 — CID 54593142

IUPACN-methyl-1-(1H-pyrazol-4-yl)methanamine;dihydrochloride
SMILESCNCc1cn[nH]c1.Cl.Cl
InChIInChI=1S/C5H9N3.2ClH/c1-6-2-5-3-7-8-4-5;;/h3-4,6H,2H2,1H3,(H,7,8);2*1H
InChIKeyUUTGTUOJRWYRFB-UHFFFAOYSA-N
MW184.07 g/mol
LogP0.97
Rot. Bonds2

About N-methyl-1-(1H-pyrazol-4-yl)methanamine;dihydrochloride

N-methyl-1-(1H-pyrazol-4-yl)methanamine;dihydrochloride (PubChem CID 54593142) has the molecular formula C5H11Cl2N3 and a molecular weight of 184.07 g/mol. Its IUPAC name is N-methyl-1-(1H-pyrazol-4-yl)methanamine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-1-(1H-pyrazol-4-yl)methanamine;dihydrochloride
PubChem CID54593142
Molecular FormulaC5H11Cl2N3
Molecular Weight184.07 g/mol
Exact Mass183.03
IUPAC NameN-methyl-1-(1H-pyrazol-4-yl)methanamine;dihydrochloride
SMILESCNCc1cn[nH]c1.Cl.Cl
InChIInChI=1S/C5H9N3.2ClH/c1-6-2-5-3-7-8-4-5;;/h3-4,6H,2H2,1H3,(H,7,8);2*1H
InChIKeyUUTGTUOJRWYRFB-UHFFFAOYSA-N
XLogP0.97
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.07
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1H-pyrazol-4-yl)methanamine;dihydrochloride?
The IUPAC name of N-methyl-1-(1H-pyrazol-4-yl)methanamine;dihydrochloride (CID 54593142) is N-methyl-1-(1H-pyrazol-4-yl)methanamine;dihydrochloride.
What is the SMILES notation for N-methyl-1-(1H-pyrazol-4-yl)methanamine;dihydrochloride?
The canonical SMILES for N-methyl-1-(1H-pyrazol-4-yl)methanamine;dihydrochloride is CNCc1cn[nH]c1.Cl.Cl.
What is the InChIKey of N-methyl-1-(1H-pyrazol-4-yl)methanamine;dihydrochloride?
The InChIKey is UUTGTUOJRWYRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.2ClH/c1-6-2-5-3-7-8-4-5;;/h3-4,6H,2H2,1H3,(H,7,8);2*1H.
What are the key properties of N-methyl-1-(1H-pyrazol-4-yl)methanamine;dihydrochloride?
N-methyl-1-(1H-pyrazol-4-yl)methanamine;dihydrochloride has a molecular weight of 184.07 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1H-pyrazol-4-yl)methanamine;dihydrochloride is sourced from PubChem (CID 54593142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).