1-[2-(methylamino)ethyl]pyrazol-4-ol

C6H11N3O — CID 82418092

IUPAC1-[2-(methylamino)ethyl]pyrazol-4-ol
SMILESCNCCn1cc(O)cn1
InChIInChI=1S/C6H11N3O/c1-7-2-3-9-5-6(10)4-8-9/h4-5,7,10H,2-3H2,1H3
InChIKeyLFBKXNLPBKFGPQ-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.19
Rot. Bonds3

About 1-[2-(methylamino)ethyl]pyrazol-4-ol

1-[2-(methylamino)ethyl]pyrazol-4-ol (PubChem CID 82418092) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-[2-(methylamino)ethyl]pyrazol-4-ol.

Molecular Properties

Compound Name1-[2-(methylamino)ethyl]pyrazol-4-ol
PubChem CID82418092
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name1-[2-(methylamino)ethyl]pyrazol-4-ol
SMILESCNCCn1cc(O)cn1
InChIInChI=1S/C6H11N3O/c1-7-2-3-9-5-6(10)4-8-9/h4-5,7,10H,2-3H2,1H3
InChIKeyLFBKXNLPBKFGPQ-UHFFFAOYSA-N
XLogP-0.19
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)ethyl]pyrazol-4-ol?
The IUPAC name of 1-[2-(methylamino)ethyl]pyrazol-4-ol (CID 82418092) is 1-[2-(methylamino)ethyl]pyrazol-4-ol.
What is the SMILES notation for 1-[2-(methylamino)ethyl]pyrazol-4-ol?
The canonical SMILES for 1-[2-(methylamino)ethyl]pyrazol-4-ol is CNCCn1cc(O)cn1.
What is the InChIKey of 1-[2-(methylamino)ethyl]pyrazol-4-ol?
The InChIKey is LFBKXNLPBKFGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-7-2-3-9-5-6(10)4-8-9/h4-5,7,10H,2-3H2,1H3.
What are the key properties of 1-[2-(methylamino)ethyl]pyrazol-4-ol?
1-[2-(methylamino)ethyl]pyrazol-4-ol has a molecular weight of 141.17 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)ethyl]pyrazol-4-ol is sourced from PubChem (CID 82418092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).