[1-[(6-chloro-3-pyridinyl)methyl]pyrazol-4-yl]methanol

C10H10ClN3O — CID 87478322

IUPAC[1-[(6-chloro-3-pyridinyl)methyl]pyrazol-4-yl]methanol
SMILESOCc1cnn(Cc2ccc(Cl)nc2)c1
InChIInChI=1S/C10H10ClN3O/c11-10-2-1-8(3-12-10)5-14-6-9(7-15)4-13-14/h1-4,6,15H,5,7H2
InChIKeyRARUTBVPJYOVRG-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.47
Rot. Bonds3

About [1-[(6-chloro-3-pyridinyl)methyl]pyrazol-4-yl]methanol

[1-[(6-chloro-3-pyridinyl)methyl]pyrazol-4-yl]methanol (PubChem CID 87478322) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is [1-[(6-chloro-3-pyridinyl)methyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(6-chloro-3-pyridinyl)methyl]pyrazol-4-yl]methanol
PubChem CID87478322
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name[1-[(6-chloro-3-pyridinyl)methyl]pyrazol-4-yl]methanol
SMILESOCc1cnn(Cc2ccc(Cl)nc2)c1
InChIInChI=1S/C10H10ClN3O/c11-10-2-1-8(3-12-10)5-14-6-9(7-15)4-13-14/h1-4,6,15H,5,7H2
InChIKeyRARUTBVPJYOVRG-UHFFFAOYSA-N
XLogP1.47
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(6-chloro-3-pyridinyl)methyl]pyrazol-4-yl]methanol?
The IUPAC name of [1-[(6-chloro-3-pyridinyl)methyl]pyrazol-4-yl]methanol (CID 87478322) is [1-[(6-chloro-3-pyridinyl)methyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [1-[(6-chloro-3-pyridinyl)methyl]pyrazol-4-yl]methanol?
The canonical SMILES for [1-[(6-chloro-3-pyridinyl)methyl]pyrazol-4-yl]methanol is OCc1cnn(Cc2ccc(Cl)nc2)c1.
What is the InChIKey of [1-[(6-chloro-3-pyridinyl)methyl]pyrazol-4-yl]methanol?
The InChIKey is RARUTBVPJYOVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c11-10-2-1-8(3-12-10)5-14-6-9(7-15)4-13-14/h1-4,6,15H,5,7H2.
What are the key properties of [1-[(6-chloro-3-pyridinyl)methyl]pyrazol-4-yl]methanol?
[1-[(6-chloro-3-pyridinyl)methyl]pyrazol-4-yl]methanol has a molecular weight of 223.66 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-chloro-3-pyridinyl)methyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 87478322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).