2-[4-[amino(methyl)amino]pyrazol-1-yl]-N,N-dimethylethanamine

C8H17N5 — CID 134518076

IUPAC2-[4-[amino(methyl)amino]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1cc(N(C)N)cn1
InChIInChI=1S/C8H17N5/c1-11(2)4-5-13-7-8(6-10-13)12(3)9/h6-7H,4-5,9H2,1-3H3
InChIKeyLMKJIXRKFSEFDL-UHFFFAOYSA-N
MW183.26 g/mol
LogP-0.25
Rot. Bonds4

About 2-[4-[amino(methyl)amino]pyrazol-1-yl]-N,N-dimethylethanamine

2-[4-[amino(methyl)amino]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 134518076) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is 2-[4-[amino(methyl)amino]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[amino(methyl)amino]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID134518076
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC Name2-[4-[amino(methyl)amino]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1cc(N(C)N)cn1
InChIInChI=1S/C8H17N5/c1-11(2)4-5-13-7-8(6-10-13)12(3)9/h6-7H,4-5,9H2,1-3H3
InChIKeyLMKJIXRKFSEFDL-UHFFFAOYSA-N
XLogP-0.25
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[amino(methyl)amino]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[amino(methyl)amino]pyrazol-1-yl]-N,N-dimethylethanamine (CID 134518076) is 2-[4-[amino(methyl)amino]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[amino(methyl)amino]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[amino(methyl)amino]pyrazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1cc(N(C)N)cn1.
What is the InChIKey of 2-[4-[amino(methyl)amino]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is LMKJIXRKFSEFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5/c1-11(2)4-5-13-7-8(6-10-13)12(3)9/h6-7H,4-5,9H2,1-3H3.
What are the key properties of 2-[4-[amino(methyl)amino]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-[amino(methyl)amino]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 183.26 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[amino(methyl)amino]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 134518076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).