4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-1H-pyrazole-4,5-diamine

C11H23N5 — CID 114995072

IUPAC4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-1H-pyrazole-4,5-diamine
SMILESCC(C)CN(CCN(C)C)c1cn[nH]c1N
InChIInChI=1S/C11H23N5/c1-9(2)8-16(6-5-15(3)4)10-7-13-14-11(10)12/h7,9H,5-6,8H2,1-4H3,(H3,12,13,14)
InChIKeyNMDWAPULKWLXDL-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.02
Rot. Bonds6

About 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-1H-pyrazole-4,5-diamine

4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-1H-pyrazole-4,5-diamine (PubChem CID 114995072) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-1H-pyrazole-4,5-diamine
PubChem CID114995072
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC Name4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-1H-pyrazole-4,5-diamine
SMILESCC(C)CN(CCN(C)C)c1cn[nH]c1N
InChIInChI=1S/C11H23N5/c1-9(2)8-16(6-5-15(3)4)10-7-13-14-11(10)12/h7,9H,5-6,8H2,1-4H3,(H3,12,13,14)
InChIKeyNMDWAPULKWLXDL-UHFFFAOYSA-N
XLogP1.02
TPSA61.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-1H-pyrazole-4,5-diamine (CID 114995072) is 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-1H-pyrazole-4,5-diamine is CC(C)CN(CCN(C)C)c1cn[nH]c1N.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-1H-pyrazole-4,5-diamine?
The InChIKey is NMDWAPULKWLXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-9(2)8-16(6-5-15(3)4)10-7-13-14-11(10)12/h7,9H,5-6,8H2,1-4H3,(H3,12,13,14).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-1H-pyrazole-4,5-diamine?
4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-1H-pyrazole-4,5-diamine has a molecular weight of 225.34 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 114995072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).