N'-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propane-1,3-diamine

C12H24N4 — CID 117212600

IUPACN'-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propane-1,3-diamine
SMILESCc1nn(C(C)(C)C)c(C)c1NCCCN
InChIInChI=1S/C12H24N4/c1-9-11(14-8-6-7-13)10(2)16(15-9)12(3,4)5/h14H,6-8,13H2,1-5H3
InChIKeyOEEHHQMAFJBDBM-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.02
Rot. Bonds4

About N'-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propane-1,3-diamine

N'-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propane-1,3-diamine (PubChem CID 117212600) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propane-1,3-diamine
PubChem CID117212600
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN'-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propane-1,3-diamine
SMILESCc1nn(C(C)(C)C)c(C)c1NCCCN
InChIInChI=1S/C12H24N4/c1-9-11(14-8-6-7-13)10(2)16(15-9)12(3,4)5/h14H,6-8,13H2,1-5H3
InChIKeyOEEHHQMAFJBDBM-UHFFFAOYSA-N
XLogP2.02
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,4,6-trimethylpyrimidin-5-yl)propane-1,3-diamine
CID 117212541
3-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-N-ethylpropan-1-amine
CID 79219688
2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propan-1-amine
CID 79219682
(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methanol
CID 55255170
5-(3-aminopropylamino)-4,6-dimethyl-1H-pyrimidine-2-thione
CID 117212570
N-[2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopropanamine
CID 79219679
N'-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]ethane-1,2-diamine
CID 117124675
N'-(3-methylpyrazin-2-yl)propane-1,3-diamine
CID 83064699
N'-(4-tert-butyl-2,6-dimethylphenyl)butane-1,4-diamine
CID 115201007
N'-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)propane-1,3-diamine
CID 117212520
1-tert-butyl-3,5-dimethyl-4-propan-2-ylpyrazole
CID 126752699
1-tert-butyl-3,5-dimethyl-4-(trifluoromethyl)pyrazole
CID 146379292

Frequently Asked Questions

What is the IUPAC name of N'-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propane-1,3-diamine?
The IUPAC name of N'-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propane-1,3-diamine (CID 117212600) is N'-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propane-1,3-diamine is Cc1nn(C(C)(C)C)c(C)c1NCCCN.
What is the InChIKey of N'-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propane-1,3-diamine?
The InChIKey is OEEHHQMAFJBDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-9-11(14-8-6-7-13)10(2)16(15-9)12(3,4)5/h14H,6-8,13H2,1-5H3.
What are the key properties of N'-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propane-1,3-diamine?
N'-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propane-1,3-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propane-1,3-diamine is sourced from PubChem (CID 117212600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).