2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]guanidine

C8H16N6 — CID 125498931

IUPAC2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]guanidine
SMILESCN(C)CCn1cc(N=C(N)N)cn1
InChIInChI=1S/C8H16N6/c1-13(2)3-4-14-6-7(5-11-14)12-8(9)10/h5-6H,3-4H2,1-2H3,(H4,9,10,12)
InChIKeyTXAGXYZJWUZGIQ-UHFFFAOYSA-N
MW196.26 g/mol
LogP-0.65
Rot. Bonds4

About 2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]guanidine

2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]guanidine (PubChem CID 125498931) has the molecular formula C8H16N6 and a molecular weight of 196.26 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]guanidine.

Molecular Properties

Compound Name2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]guanidine
PubChem CID125498931
Molecular FormulaC8H16N6
Molecular Weight196.26 g/mol
Exact Mass196.14
IUPAC Name2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]guanidine
SMILESCN(C)CCn1cc(N=C(N)N)cn1
InChIInChI=1S/C8H16N6/c1-13(2)3-4-14-6-7(5-11-14)12-8(9)10/h5-6H,3-4H2,1-2H3,(H4,9,10,12)
InChIKeyTXAGXYZJWUZGIQ-UHFFFAOYSA-N
XLogP-0.65
TPSA85.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]guanidine?
The IUPAC name of 2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]guanidine (CID 125498931) is 2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]guanidine.
What is the SMILES notation for 2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]guanidine?
The canonical SMILES for 2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]guanidine is CN(C)CCn1cc(N=C(N)N)cn1.
What is the InChIKey of 2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]guanidine?
The InChIKey is TXAGXYZJWUZGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6/c1-13(2)3-4-14-6-7(5-11-14)12-8(9)10/h5-6H,3-4H2,1-2H3,(H4,9,10,12).
What are the key properties of 2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]guanidine?
2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]guanidine has a molecular weight of 196.26 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]guanidine is sourced from PubChem (CID 125498931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).