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

C14H26N4 — CID 55046319

IUPAC1,3-dimethyl-4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N)c1CN(C)C1CCCC(C)C1
InChIInChI=1S/C14H26N4/c1-10-6-5-7-12(8-10)17(3)9-13-11(2)16-18(4)14(13)15/h10,12H,5-9,15H2,1-4H3
InChIKeyAPLRJMVCVOFYNZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.32
Rot. Bonds3

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

1,3-dimethyl-4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyrazol-5-amine (PubChem CID 55046319) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1,3-dimethyl-4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyrazol-5-amine
PubChem CID55046319
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1,3-dimethyl-4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N)c1CN(C)C1CCCC(C)C1
InChIInChI=1S/C14H26N4/c1-10-6-5-7-12(8-10)17(3)9-13-11(2)16-18(4)14(13)15/h10,12H,5-9,15H2,1-4H3
InChIKeyAPLRJMVCVOFYNZ-UHFFFAOYSA-N
XLogP2.32
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyrazol-5-amine (CID 55046319) is 1,3-dimethyl-4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyrazol-5-amine is Cc1nn(C)c(N)c1CN(C)C1CCCC(C)C1.
What is the InChIKey of 1,3-dimethyl-4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyrazol-5-amine?
The InChIKey is APLRJMVCVOFYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-10-6-5-7-12(8-10)17(3)9-13-11(2)16-18(4)14(13)15/h10,12H,5-9,15H2,1-4H3.
What are the key properties of 1,3-dimethyl-4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyrazol-5-amine?
1,3-dimethyl-4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyrazol-5-amine has a molecular weight of 250.39 g/mol, XLogP of 2.32, 3 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-methylcyclohexyl)amino]methyl]pyrazol-5-amine is sourced from PubChem (CID 55046319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).