N,N'-di(propan-2-yl)-1-pyrazol-1-ylmethanediamine

C10H20N4 — CID 118360201

IUPACN,N'-di(propan-2-yl)-1-pyrazol-1-ylmethanediamine
SMILESCC(C)NC(NC(C)C)n1cccn1
InChIInChI=1S/C10H20N4/c1-8(2)12-10(13-9(3)4)14-7-5-6-11-14/h5-10,12-13H,1-4H3
InChIKeyDOBABMAOPJFKSC-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.34
Rot. Bonds5

About N,N'-di(propan-2-yl)-1-pyrazol-1-ylmethanediamine

N,N'-di(propan-2-yl)-1-pyrazol-1-ylmethanediamine (PubChem CID 118360201) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N,N'-di(propan-2-yl)-1-pyrazol-1-ylmethanediamine.

Molecular Properties

Compound NameN,N'-di(propan-2-yl)-1-pyrazol-1-ylmethanediamine
PubChem CID118360201
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN,N'-di(propan-2-yl)-1-pyrazol-1-ylmethanediamine
SMILESCC(C)NC(NC(C)C)n1cccn1
InChIInChI=1S/C10H20N4/c1-8(2)12-10(13-9(3)4)14-7-5-6-11-14/h5-10,12-13H,1-4H3
InChIKeyDOBABMAOPJFKSC-UHFFFAOYSA-N
XLogP1.34
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.34
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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Frequently Asked Questions

What is the IUPAC name of N,N'-di(propan-2-yl)-1-pyrazol-1-ylmethanediamine?
The IUPAC name of N,N'-di(propan-2-yl)-1-pyrazol-1-ylmethanediamine (CID 118360201) is N,N'-di(propan-2-yl)-1-pyrazol-1-ylmethanediamine.
What is the SMILES notation for N,N'-di(propan-2-yl)-1-pyrazol-1-ylmethanediamine?
The canonical SMILES for N,N'-di(propan-2-yl)-1-pyrazol-1-ylmethanediamine is CC(C)NC(NC(C)C)n1cccn1.
What is the InChIKey of N,N'-di(propan-2-yl)-1-pyrazol-1-ylmethanediamine?
The InChIKey is DOBABMAOPJFKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-8(2)12-10(13-9(3)4)14-7-5-6-11-14/h5-10,12-13H,1-4H3.
What are the key properties of N,N'-di(propan-2-yl)-1-pyrazol-1-ylmethanediamine?
N,N'-di(propan-2-yl)-1-pyrazol-1-ylmethanediamine has a molecular weight of 196.30 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(propan-2-yl)-1-pyrazol-1-ylmethanediamine is sourced from PubChem (CID 118360201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).