1,3-dimethyl-4-[[methyl(3-methylbutyl)amino]methyl]pyrazol-5-amine

C12H24N4 — CID 62208977

IUPAC1,3-dimethyl-4-[[methyl(3-methylbutyl)amino]methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N)c1CN(C)CCC(C)C
InChIInChI=1S/C12H24N4/c1-9(2)6-7-15(4)8-11-10(3)14-16(5)12(11)13/h9H,6-8,13H2,1-5H3
InChIKeyKWUGIJGYQMCNAV-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.79
Rot. Bonds5

About 1,3-dimethyl-4-[[methyl(3-methylbutyl)amino]methyl]pyrazol-5-amine

1,3-dimethyl-4-[[methyl(3-methylbutyl)amino]methyl]pyrazol-5-amine (PubChem CID 62208977) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1,3-dimethyl-4-[[methyl(3-methylbutyl)amino]methyl]pyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-4-[[methyl(3-methylbutyl)amino]methyl]pyrazol-5-amine
PubChem CID62208977
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1,3-dimethyl-4-[[methyl(3-methylbutyl)amino]methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N)c1CN(C)CCC(C)C
InChIInChI=1S/C12H24N4/c1-9(2)6-7-15(4)8-11-10(3)14-16(5)12(11)13/h9H,6-8,13H2,1-5H3
InChIKeyKWUGIJGYQMCNAV-UHFFFAOYSA-N
XLogP1.79
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-4-[[methyl(propyl)amino]methyl]pyrazol-5-amine
CID 62182033
N-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbutan-1-amine
CID 62245540
4-(diethylaminomethyl)-1,3-dimethylpyrazol-5-amine
CID 62178598
N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62682565
1,3-dimethyl-4-[(N-methylanilino)methyl]pyrazol-5-amine
CID 62178948
N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 115318737
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]propan-2-ol
CID 62334987
N-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl]-N,2-dimethylbutan-1-amine
CID 62246707
1,3-dimethyl-4-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazol-5-amine
CID 107870543
1,3-dimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine
CID 62188450
1,3-dimethyl-4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyrazol-5-amine
CID 55046319
N-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbutan-2-amine
CID 62245689

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[[methyl(3-methylbutyl)amino]methyl]pyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-4-[[methyl(3-methylbutyl)amino]methyl]pyrazol-5-amine (CID 62208977) is 1,3-dimethyl-4-[[methyl(3-methylbutyl)amino]methyl]pyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-4-[[methyl(3-methylbutyl)amino]methyl]pyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-4-[[methyl(3-methylbutyl)amino]methyl]pyrazol-5-amine is Cc1nn(C)c(N)c1CN(C)CCC(C)C.
What is the InChIKey of 1,3-dimethyl-4-[[methyl(3-methylbutyl)amino]methyl]pyrazol-5-amine?
The InChIKey is KWUGIJGYQMCNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-9(2)6-7-15(4)8-11-10(3)14-16(5)12(11)13/h9H,6-8,13H2,1-5H3.
What are the key properties of 1,3-dimethyl-4-[[methyl(3-methylbutyl)amino]methyl]pyrazol-5-amine?
1,3-dimethyl-4-[[methyl(3-methylbutyl)amino]methyl]pyrazol-5-amine has a molecular weight of 224.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[[methyl(3-methylbutyl)amino]methyl]pyrazol-5-amine is sourced from PubChem (CID 62208977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).