2-(1H-pyrazol-5-yl)ethanamine

C5H9N3 — CID 7741

💊View drug profile → betazole
IUPAC2-(1H-pyrazol-5-yl)ethanamine
SMILESNCCc1ccn[nH]1
InChIInChI=1S/C5H9N3/c6-3-1-5-2-4-7-8-5/h2,4H,1,3,6H2,(H,7,8)
InChIKeyJXDFEQONERDKSS-UHFFFAOYSA-N
MW111.15 g/mol
LogP-0.09
Rot. Bonds2

About 2-(1H-pyrazol-5-yl)ethanamine

2-(1H-pyrazol-5-yl)ethanamine (PubChem CID 7741) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)ethanamine
PubChem CID7741
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name2-(1H-pyrazol-5-yl)ethanamine
SMILESNCCc1ccn[nH]1
InChIInChI=1S/C5H9N3/c6-3-1-5-2-4-7-8-5/h2,4H,1,3,6H2,(H,7,8)
InChIKeyJXDFEQONERDKSS-UHFFFAOYSA-N
XLogP-0.09
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Betazole Dihydrochloride
CID 67412
3-Methylpyrazole
CID 15073
Betazole hydrochloride
CID 16051987
3-tert-butyl-1H-pyrazole
CID 139978
4-(1H-Pyrazol-5-yl)piperidine
CID 21193114
3-(1H-pyrazol-3-yl)propan-1-ol
CID 53792375
3-Cyclopropyl-1H-pyrazole
CID 7017816
3-Nonyl-1H-pyrazole
CID 24844218
3-propyl-1H-pyrazole
CID 201990
3-(1H-pyrazol-5-yl)piperidine
CID 42961301
3-ethyl-1H-pyrazole
CID 498459
5-(2-chloroethyl)-1H-pyrazole
CID 433639

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-yl)ethanamine?
The IUPAC name of 2-(1H-pyrazol-5-yl)ethanamine (CID 7741) is 2-(1H-pyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(1H-pyrazol-5-yl)ethanamine is NCCc1ccn[nH]1.
What is the InChIKey of 2-(1H-pyrazol-5-yl)ethanamine?
The InChIKey is JXDFEQONERDKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c6-3-1-5-2-4-7-8-5/h2,4H,1,3,6H2,(H,7,8).
What are the key properties of 2-(1H-pyrazol-5-yl)ethanamine?
2-(1H-pyrazol-5-yl)ethanamine has a molecular weight of 111.15 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-yl)ethanamine is sourced from PubChem (CID 7741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).