1-(3-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride

C6H12Cl2IN3 — CID 170913013

IUPAC1-(3-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride
SMILESCNCc1cn(C)nc1I.Cl.Cl
InChIInChI=1S/C6H10IN3.2ClH/c1-8-3-5-4-10(2)9-6(5)7;;/h4,8H,3H2,1-2H3;2*1H
InChIKeyBRIBSYWLYSMPRH-UHFFFAOYSA-N
MW323.99 g/mol
LogP1.59
Rot. Bonds2

About 1-(3-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride

1-(3-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride (PubChem CID 170913013) has the molecular formula C6H12Cl2IN3 and a molecular weight of 323.99 g/mol. Its IUPAC name is 1-(3-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(3-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride
PubChem CID170913013
Molecular FormulaC6H12Cl2IN3
Molecular Weight323.99 g/mol
Exact Mass322.95
IUPAC Name1-(3-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride
SMILESCNCc1cn(C)nc1I.Cl.Cl
InChIInChI=1S/C6H10IN3.2ClH/c1-8-3-5-4-10(2)9-6(5)7;;/h4,8H,3H2,1-2H3;2*1H
InChIKeyBRIBSYWLYSMPRH-UHFFFAOYSA-N
XLogP1.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.99
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3-iodo-1-methylpyrazol-4-yl)methylhydrazine;hydrochloride
CID 164719387
2-(3-iodo-1-methylpyrazol-4-yl)ethanamine
CID 165083732
1-(3-cyclopropyl-1-methylpyrazol-4-yl)-N-methylmethanamine
CID 83826856
1-[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine
CID 39096770
4-chloro-3-iodo-1-methylpyrazole
CID 79782466
1-[3-(4-ethylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine
CID 39096752
(1,3-dimethylpyrazol-4-yl)methanamine;hydrate;hydrochloride
CID 86812145
1-[3-(3,4-dimethylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine
CID 39096758
4-(ethylaminomethyl)-1-methylpyrazol-3-amine
CID 165438711
(1,3-dimethylpyrazol-4-yl)methylcyanamide
CID 112669054
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705685
1-(2-iodophenyl)-N-methylmethanamine;hydrochloride
CID 155822596

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride?
The IUPAC name of 1-(3-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride (CID 170913013) is 1-(3-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride.
What is the SMILES notation for 1-(3-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride?
The canonical SMILES for 1-(3-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride is CNCc1cn(C)nc1I.Cl.Cl.
What is the InChIKey of 1-(3-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride?
The InChIKey is BRIBSYWLYSMPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10IN3.2ClH/c1-8-3-5-4-10(2)9-6(5)7;;/h4,8H,3H2,1-2H3;2*1H.
What are the key properties of 1-(3-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride?
1-(3-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride has a molecular weight of 323.99 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride is sourced from PubChem (CID 170913013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).