4-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,3-diol

C15H14N4O2 — CID 43736967

IUPAC4-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,3-diol
SMILESOc1ccc(CNc2cccnc2-n2cccn2)c(O)c1
InChIInChI=1S/C15H14N4O2/c20-12-5-4-11(14(21)9-12)10-17-13-3-1-6-16-15(13)19-8-2-7-18-19/h1-9,17,20-21H,10H2
InChIKeyOWMFYINYBVGCRB-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.29
Rot. Bonds4

About 4-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,3-diol

4-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,3-diol (PubChem CID 43736967) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,3-diol
PubChem CID43736967
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name4-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,3-diol
SMILESOc1ccc(CNc2cccnc2-n2cccn2)c(O)c1
InChIInChI=1S/C15H14N4O2/c20-12-5-4-11(14(21)9-12)10-17-13-3-1-6-16-15(13)19-8-2-7-18-19/h1-9,17,20-21H,10H2
InChIKeyOWMFYINYBVGCRB-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'}

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Related Compounds

4-fluoro-2-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]phenol
CID 107694361
4-[(2-hydroxyanilino)methyl]benzene-1,3-diol
CID 21321428
2-pyrazol-1-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
CID 75415259
N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine
CID 62085914
N-[(2-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine
CID 75505630
5-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]thiophene-3-carboxamide
CID 79611960
N-[(3-methyltriazol-4-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine
CID 104599717
N-[(3-bromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine
CID 106885249
N-pentyl-2-pyrazol-1-ylpyridin-3-amine
CID 43736889
4-bromo-2-[[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol
CID 107737848
3-[[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol
CID 61168294
4-[(2,3-difluoroanilino)methyl]benzene-1,3-diol
CID 61075014

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,3-diol (CID 43736967) is 4-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,3-diol is Oc1ccc(CNc2cccnc2-n2cccn2)c(O)c1.
What is the InChIKey of 4-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,3-diol?
The InChIKey is OWMFYINYBVGCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c20-12-5-4-11(14(21)9-12)10-17-13-3-1-6-16-15(13)19-8-2-7-18-19/h1-9,17,20-21H,10H2.
What are the key properties of 4-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,3-diol?
4-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,3-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 4-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,3-diol is sourced from PubChem (CID 43736967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).