(1H-pyrazol-5-ylamino)methanol

C4H7N3O — CID 54260433

IUPAC(1H-pyrazol-5-ylamino)methanol
SMILESOCNc1ccn[nH]1
InChIInChI=1S/C4H7N3O/c8-3-5-4-1-2-6-7-4/h1-2,8H,3H2,(H2,5,6,7)
InChIKeyRDCSJBMWDXSFRP-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.23
Rot. Bonds2

About (1H-pyrazol-5-ylamino)methanol

(1H-pyrazol-5-ylamino)methanol (PubChem CID 54260433) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is (1H-pyrazol-5-ylamino)methanol.

Molecular Properties

Compound Name(1H-pyrazol-5-ylamino)methanol
PubChem CID54260433
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name(1H-pyrazol-5-ylamino)methanol
SMILESOCNc1ccn[nH]1
InChIInChI=1S/C4H7N3O/c8-3-5-4-1-2-6-7-4/h1-2,8H,3H2,(H2,5,6,7)
InChIKeyRDCSJBMWDXSFRP-UHFFFAOYSA-N
XLogP-0.23
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1H-pyrazol-5-ylamino)methanol?
The IUPAC name of (1H-pyrazol-5-ylamino)methanol (CID 54260433) is (1H-pyrazol-5-ylamino)methanol.
What is the SMILES notation for (1H-pyrazol-5-ylamino)methanol?
The canonical SMILES for (1H-pyrazol-5-ylamino)methanol is OCNc1ccn[nH]1.
What is the InChIKey of (1H-pyrazol-5-ylamino)methanol?
The InChIKey is RDCSJBMWDXSFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c8-3-5-4-1-2-6-7-4/h1-2,8H,3H2,(H2,5,6,7).
What are the key properties of (1H-pyrazol-5-ylamino)methanol?
(1H-pyrazol-5-ylamino)methanol has a molecular weight of 113.12 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1H-pyrazol-5-ylamino)methanol is sourced from PubChem (CID 54260433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).