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

C16H30N4 — CID 43280836

IUPACN-cyclohexyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
SMILESCCCNCc1c(C)nn(C)c1N(C)C1CCCCC1
InChIInChI=1S/C16H30N4/c1-5-11-17-12-15-13(2)18-20(4)16(15)19(3)14-9-7-6-8-10-14/h14,17H,5-12H2,1-4H3
InChIKeyMNIDREFVRHVMNC-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.00
Rot. Bonds6

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

N-cyclohexyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine (PubChem CID 43280836) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-cyclohexyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN-cyclohexyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
PubChem CID43280836
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-cyclohexyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
SMILESCCCNCc1c(C)nn(C)c1N(C)C1CCCCC1
InChIInChI=1S/C16H30N4/c1-5-11-17-12-15-13(2)18-20(4)16(15)19(3)14-9-7-6-8-10-14/h14,17H,5-12H2,1-4H3
InChIKeyMNIDREFVRHVMNC-UHFFFAOYSA-N
XLogP3.00
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.00
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-cyclohexyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine?
The IUPAC name of N-cyclohexyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine (CID 43280836) is N-cyclohexyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine.
What is the SMILES notation for N-cyclohexyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine?
The canonical SMILES for N-cyclohexyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine is CCCNCc1c(C)nn(C)c1N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine?
The InChIKey is MNIDREFVRHVMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-11-17-12-15-13(2)18-20(4)16(15)19(3)14-9-7-6-8-10-14/h14,17H,5-12H2,1-4H3.
What are the key properties of N-cyclohexyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine?
N-cyclohexyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine has a molecular weight of 278.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine is sourced from PubChem (CID 43280836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).