1-N'-(2-tert-butylpyrazol-3-yl)ethane-1,1-diamine

C9H18N4 — CID 143570955

IUPAC1-N'-(2-tert-butylpyrazol-3-yl)ethane-1,1-diamine
SMILESCC(N)Nc1ccnn1C(C)(C)C
InChIInChI=1S/C9H18N4/c1-7(10)12-8-5-6-11-13(8)9(2,3)4/h5-7,12H,10H2,1-4H3
InChIKeySXAXSRLKSSGUBS-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.35
Rot. Bonds2

About 1-N'-(2-tert-butylpyrazol-3-yl)ethane-1,1-diamine

1-N'-(2-tert-butylpyrazol-3-yl)ethane-1,1-diamine (PubChem CID 143570955) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-N'-(2-tert-butylpyrazol-3-yl)ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(2-tert-butylpyrazol-3-yl)ethane-1,1-diamine
PubChem CID143570955
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name1-N'-(2-tert-butylpyrazol-3-yl)ethane-1,1-diamine
SMILESCC(N)Nc1ccnn1C(C)(C)C
InChIInChI=1S/C9H18N4/c1-7(10)12-8-5-6-11-13(8)9(2,3)4/h5-7,12H,10H2,1-4H3
InChIKeySXAXSRLKSSGUBS-UHFFFAOYSA-N
XLogP1.35
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2-tert-butylpyrazol-3-yl)acetamide
CID 119053913
3-[(2-tert-butylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122090426
1-tert-butyl-5-iodopyrazole
CID 83382816
2-methyl-2-(5-propan-2-ylpyrazol-1-yl)propan-1-amine
CID 84732403
2-(2-tert-butylpyrazol-3-yl)pyrimidine
CID 56956113
N-(2-tert-butylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide
CID 154764331
1-(2-tert-butylpyrazol-3-yl)-3-[(1S)-2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea
CID 164636891
1-(2-tert-butylpyrazol-3-yl)-N-[(2-phenyl-4-pyridinyl)methyl]ethanamine
CID 167767364
1-(2-tert-butylpyrazol-3-yl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea
CID 99830772
ethyl 2-tert-butylpyrazole-3-carboxylate
CID 56956209
2-methyl-N'-(2-methylpyrazol-3-yl)propane-1,3-diamine
CID 103542631
1-(2-tert-butylpyrazol-3-yl)-3-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)urea
CID 138025003

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-tert-butylpyrazol-3-yl)ethane-1,1-diamine?
The IUPAC name of 1-N'-(2-tert-butylpyrazol-3-yl)ethane-1,1-diamine (CID 143570955) is 1-N'-(2-tert-butylpyrazol-3-yl)ethane-1,1-diamine.
What is the SMILES notation for 1-N'-(2-tert-butylpyrazol-3-yl)ethane-1,1-diamine?
The canonical SMILES for 1-N'-(2-tert-butylpyrazol-3-yl)ethane-1,1-diamine is CC(N)Nc1ccnn1C(C)(C)C.
What is the InChIKey of 1-N'-(2-tert-butylpyrazol-3-yl)ethane-1,1-diamine?
The InChIKey is SXAXSRLKSSGUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-7(10)12-8-5-6-11-13(8)9(2,3)4/h5-7,12H,10H2,1-4H3.
What are the key properties of 1-N'-(2-tert-butylpyrazol-3-yl)ethane-1,1-diamine?
1-N'-(2-tert-butylpyrazol-3-yl)ethane-1,1-diamine has a molecular weight of 182.27 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-tert-butylpyrazol-3-yl)ethane-1,1-diamine is sourced from PubChem (CID 143570955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).