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

C6H13Cl2N3 — CID 45075093

IUPACN-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride
SMILESCNCc1cc(C)[nH]n1.Cl.Cl
InChIInChI=1S/C6H11N3.2ClH/c1-5-3-6(4-7-2)9-8-5;;/h3,7H,4H2,1-2H3,(H,8,9);2*1H
InChIKeyLKHYOIDMBVLNLJ-UHFFFAOYSA-N
MW198.10 g/mol
LogP1.28
Rot. Bonds2

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

N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride (PubChem CID 45075093) has the molecular formula C6H13Cl2N3 and a molecular weight of 198.10 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride
PubChem CID45075093
Molecular FormulaC6H13Cl2N3
Molecular Weight198.10 g/mol
Exact Mass197.05
IUPAC NameN-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride
SMILESCNCc1cc(C)[nH]n1.Cl.Cl
InChIInChI=1S/C6H11N3.2ClH/c1-5-3-6(4-7-2)9-8-5;;/h3,7H,4H2,1-2H3,(H,8,9);2*1H
InChIKeyLKHYOIDMBVLNLJ-UHFFFAOYSA-N
XLogP1.28
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.10
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethyl-1H-pyrazol-5-yl)methanamine
CID 23006039
((5-tert-butyl-1H-pyrazol-3-yl)methyl)(methyl)amine
CID 44236865
1-(5-Cyclopropyl-1H-pyrazol-3-YL)-N-methylmethanamine
CID 44236867
N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine
CID 3157457
(3-methyl-1H-pyrazol-5-yl)methanamine
CID 7446898
N-[(1,3-Dimethyl-1H-Pyrazol-5-Yl)Methyl]-N-Methylamine
CID 23005845
(5-(trifluoromethyl)-1H-pyrazol-3-yl)methanamine dihydrochloride
CID 126796406
3,5-Dimethyl-1H-pyrazole hydrochloride
CID 12203524
Diethyl-(5-trifluoromethyl-1H-pyrazol-3-ylmethyl)-amine
CID 11138670
5-(Aminomethyl)-3-methylpyrazole dihydrochloride
CID 17191327
[(5-tert-butyl-1H-pyrazol-3-yl)methyl]methylamine dihydrochloride
CID 44236864
1-(5-methyl-1H-pyrazol-3-yl)ethan-1-amine dihydrochloride
CID 71433421

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride?
The IUPAC name of N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride (CID 45075093) is N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride.
What is the SMILES notation for N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride?
The canonical SMILES for N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride is CNCc1cc(C)[nH]n1.Cl.Cl.
What is the InChIKey of N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride?
The InChIKey is LKHYOIDMBVLNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.2ClH/c1-5-3-6(4-7-2)9-8-5;;/h3,7H,4H2,1-2H3,(H,8,9);2*1H.
What are the key properties of N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride?
N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride has a molecular weight of 198.10 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine;dihydrochloride is sourced from PubChem (CID 45075093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).