4-N,4-N-di(propan-2-yl)-1H-pyrazole-4,5-diamine

C9H18N4 — CID 140543332

IUPAC4-N,4-N-di(propan-2-yl)-1H-pyrazole-4,5-diamine
SMILESCC(C)N(c1cn[nH]c1N)C(C)C
InChIInChI=1S/C9H18N4/c1-6(2)13(7(3)4)8-5-11-12-9(8)10/h5-7H,1-4H3,(H3,10,11,12)
InChIKeyBHOGGGCACXQYHN-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.62
Rot. Bonds3

About 4-N,4-N-di(propan-2-yl)-1H-pyrazole-4,5-diamine

4-N,4-N-di(propan-2-yl)-1H-pyrazole-4,5-diamine (PubChem CID 140543332) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-N,4-N-di(propan-2-yl)-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N,4-N-di(propan-2-yl)-1H-pyrazole-4,5-diamine
PubChem CID140543332
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name4-N,4-N-di(propan-2-yl)-1H-pyrazole-4,5-diamine
SMILESCC(C)N(c1cn[nH]c1N)C(C)C
InChIInChI=1S/C9H18N4/c1-6(2)13(7(3)4)8-5-11-12-9(8)10/h5-7H,1-4H3,(H3,10,11,12)
InChIKeyBHOGGGCACXQYHN-UHFFFAOYSA-N
XLogP1.62
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-di(propan-2-yl)-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N,4-N-di(propan-2-yl)-1H-pyrazole-4,5-diamine (CID 140543332) is 4-N,4-N-di(propan-2-yl)-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N,4-N-di(propan-2-yl)-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N,4-N-di(propan-2-yl)-1H-pyrazole-4,5-diamine is CC(C)N(c1cn[nH]c1N)C(C)C.
What is the InChIKey of 4-N,4-N-di(propan-2-yl)-1H-pyrazole-4,5-diamine?
The InChIKey is BHOGGGCACXQYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-6(2)13(7(3)4)8-5-11-12-9(8)10/h5-7H,1-4H3,(H3,10,11,12).
What are the key properties of 4-N,4-N-di(propan-2-yl)-1H-pyrazole-4,5-diamine?
4-N,4-N-di(propan-2-yl)-1H-pyrazole-4,5-diamine has a molecular weight of 182.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-di(propan-2-yl)-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 140543332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).