4-chloro-2-(3-pyridin-3-ylpyrazol-1-yl)phenol

C14H10ClN3O — CID 174616550

IUPAC4-chloro-2-(3-pyridin-3-ylpyrazol-1-yl)phenol
SMILESOc1ccc(Cl)cc1-n1ccc(-c2cccnc2)n1
InChIInChI=1S/C14H10ClN3O/c15-11-3-4-14(19)13(8-11)18-7-5-12(17-18)10-2-1-6-16-9-10/h1-9,19H
InChIKeyKHWHAROVDMHORG-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.29
Rot. Bonds2

About 4-chloro-2-(3-pyridin-3-ylpyrazol-1-yl)phenol

4-chloro-2-(3-pyridin-3-ylpyrazol-1-yl)phenol (PubChem CID 174616550) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 4-chloro-2-(3-pyridin-3-ylpyrazol-1-yl)phenol.

Molecular Properties

Compound Name4-chloro-2-(3-pyridin-3-ylpyrazol-1-yl)phenol
PubChem CID174616550
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name4-chloro-2-(3-pyridin-3-ylpyrazol-1-yl)phenol
SMILESOc1ccc(Cl)cc1-n1ccc(-c2cccnc2)n1
InChIInChI=1S/C14H10ClN3O/c15-11-3-4-14(19)13(8-11)18-7-5-12(17-18)10-2-1-6-16-9-10/h1-9,19H
InChIKeyKHWHAROVDMHORG-UHFFFAOYSA-N
XLogP3.29
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-fluoropyrazol-3-yl)pyridine
CID 174166820
3-(1-sulfanylpyrazol-3-yl)pyridine
CID 67474504
4-(3-pyridin-3-ylpyrazol-1-yl)benzonitrile
CID 174630636
3-(4-chloro-2-methylphenyl)pyridine
CID 46317046
2-[3-(4-chlorophenyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide
CID 67580466
3-(1-benzylpyrazol-3-yl)pyridine
CID 99964671
3-(6-chloronaphthalen-2-yl)pyridine
CID 173397093
3-(4-chloro-2-nitrophenyl)pyridine
CID 76852317
7-chloro-N-methyl-1,1-dioxo-3-pyridin-3-yl-1λ6,2,4-benzothiadiazin-4-amine
CID 151819828
1-(3-chlorophenyl)-3-methyl-5-pyridin-3-ylpyrazole-4-carboxylic acid
CID 82072886
2-[1-(5-chloro-2-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine
CID 82072788
6-chloro-2-pyridin-3-ylpyridin-3-ol
CID 166174969

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-pyridin-3-ylpyrazol-1-yl)phenol?
The IUPAC name of 4-chloro-2-(3-pyridin-3-ylpyrazol-1-yl)phenol (CID 174616550) is 4-chloro-2-(3-pyridin-3-ylpyrazol-1-yl)phenol.
What is the SMILES notation for 4-chloro-2-(3-pyridin-3-ylpyrazol-1-yl)phenol?
The canonical SMILES for 4-chloro-2-(3-pyridin-3-ylpyrazol-1-yl)phenol is Oc1ccc(Cl)cc1-n1ccc(-c2cccnc2)n1.
What is the InChIKey of 4-chloro-2-(3-pyridin-3-ylpyrazol-1-yl)phenol?
The InChIKey is KHWHAROVDMHORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-11-3-4-14(19)13(8-11)18-7-5-12(17-18)10-2-1-6-16-9-10/h1-9,19H.
What are the key properties of 4-chloro-2-(3-pyridin-3-ylpyrazol-1-yl)phenol?
4-chloro-2-(3-pyridin-3-ylpyrazol-1-yl)phenol has a molecular weight of 271.71 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-pyridin-3-ylpyrazol-1-yl)phenol is sourced from PubChem (CID 174616550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).