3-[[(6-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol

C15H14N4O2 — CID 61318074

IUPAC3-[[(6-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol
SMILESOc1cccc(CNc2ccc(-n3cccn3)nc2)c1O
InChIInChI=1S/C15H14N4O2/c20-13-4-1-3-11(15(13)21)9-16-12-5-6-14(17-10-12)19-8-2-7-18-19/h1-8,10,16,20-21H,9H2
InChIKeyGBTWZMUDHLHIDZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.29
Rot. Bonds4

About 3-[[(6-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol

3-[[(6-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol (PubChem CID 61318074) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-[[(6-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[[(6-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol
PubChem CID61318074
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name3-[[(6-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol
SMILESOc1cccc(CNc2ccc(-n3cccn3)nc2)c1O
InChIInChI=1S/C15H14N4O2/c20-13-4-1-3-11(15(13)21)9-16-12-5-6-14(17-10-12)19-8-2-7-18-19/h1-8,10,16,20-21H,9H2
InChIKeyGBTWZMUDHLHIDZ-UHFFFAOYSA-N
XLogP2.29
TPSA83.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[(2-fluorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine
CID 43704514
N-[(2,6-dichlorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine
CID 43704388
N-[(4-fluorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine
CID 43704289
N-[(1-methyltriazol-4-yl)methyl]-6-pyrazol-1-ylpyridin-3-amine
CID 62755770
N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-pyrazol-1-ylpyridin-3-amine
CID 43704477
N-hexyl-6-pyrazol-1-ylpyridin-3-amine
CID 43704280
N-octyl-6-pyrazol-1-ylpyridin-3-amine
CID 43704279
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 25480347
2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride
CID 119842771
3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25349174
N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 43698782

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol?
The IUPAC name of 3-[[(6-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol (CID 61318074) is 3-[[(6-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol.
What is the SMILES notation for 3-[[(6-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol?
The canonical SMILES for 3-[[(6-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol is Oc1cccc(CNc2ccc(-n3cccn3)nc2)c1O.
What is the InChIKey of 3-[[(6-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol?
The InChIKey is GBTWZMUDHLHIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c20-13-4-1-3-11(15(13)21)9-16-12-5-6-14(17-10-12)19-8-2-7-18-19/h1-8,10,16,20-21H,9H2.
What are the key properties of 3-[[(6-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol?
3-[[(6-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol has a molecular weight of 282.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol is sourced from PubChem (CID 61318074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).