N,1,3-trimethyl-N-(4-methylcyclohexyl)-4-(propylaminomethyl)pyrazol-5-amine

C17H32N4 — CID 61437594

IUPACN,1,3-trimethyl-N-(4-methylcyclohexyl)-4-(propylaminomethyl)pyrazol-5-amine
SMILESCCCNCc1c(C)nn(C)c1N(C)C1CCC(C)CC1
InChIInChI=1S/C17H32N4/c1-6-11-18-12-16-14(3)19-21(5)17(16)20(4)15-9-7-13(2)8-10-15/h13,15,18H,6-12H2,1-5H3
InChIKeyIGBZILJMWUZUMT-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.24
Rot. Bonds6

About N,1,3-trimethyl-N-(4-methylcyclohexyl)-4-(propylaminomethyl)pyrazol-5-amine

N,1,3-trimethyl-N-(4-methylcyclohexyl)-4-(propylaminomethyl)pyrazol-5-amine (PubChem CID 61437594) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N,1,3-trimethyl-N-(4-methylcyclohexyl)-4-(propylaminomethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN,1,3-trimethyl-N-(4-methylcyclohexyl)-4-(propylaminomethyl)pyrazol-5-amine
PubChem CID61437594
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN,1,3-trimethyl-N-(4-methylcyclohexyl)-4-(propylaminomethyl)pyrazol-5-amine
SMILESCCCNCc1c(C)nn(C)c1N(C)C1CCC(C)CC1
InChIInChI=1S/C17H32N4/c1-6-11-18-12-16-14(3)19-21(5)17(16)20(4)15-9-7-13(2)8-10-15/h13,15,18H,6-12H2,1-5H3
InChIKeyIGBZILJMWUZUMT-UHFFFAOYSA-N
XLogP3.24
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-N-(4-methylcyclohexyl)-4-(propylaminomethyl)pyrazol-5-amine?
The IUPAC name of N,1,3-trimethyl-N-(4-methylcyclohexyl)-4-(propylaminomethyl)pyrazol-5-amine (CID 61437594) is N,1,3-trimethyl-N-(4-methylcyclohexyl)-4-(propylaminomethyl)pyrazol-5-amine.
What is the SMILES notation for N,1,3-trimethyl-N-(4-methylcyclohexyl)-4-(propylaminomethyl)pyrazol-5-amine?
The canonical SMILES for N,1,3-trimethyl-N-(4-methylcyclohexyl)-4-(propylaminomethyl)pyrazol-5-amine is CCCNCc1c(C)nn(C)c1N(C)C1CCC(C)CC1.
What is the InChIKey of N,1,3-trimethyl-N-(4-methylcyclohexyl)-4-(propylaminomethyl)pyrazol-5-amine?
The InChIKey is IGBZILJMWUZUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-6-11-18-12-16-14(3)19-21(5)17(16)20(4)15-9-7-13(2)8-10-15/h13,15,18H,6-12H2,1-5H3.
What are the key properties of N,1,3-trimethyl-N-(4-methylcyclohexyl)-4-(propylaminomethyl)pyrazol-5-amine?
N,1,3-trimethyl-N-(4-methylcyclohexyl)-4-(propylaminomethyl)pyrazol-5-amine has a molecular weight of 292.47 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-N-(4-methylcyclohexyl)-4-(propylaminomethyl)pyrazol-5-amine is sourced from PubChem (CID 61437594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).