(2-chlorophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone

C16H14ClN3O2 — CID 3123699

IUPAC(2-chlorophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone
SMILESCC1=NN(C(=O)c2ccccc2Cl)C(O)(c2cccnc2)C1
InChIInChI=1S/C16H14ClN3O2/c1-11-9-16(22,12-5-4-8-18-10-12)20(19-11)15(21)13-6-2-3-7-14(13)17/h2-8,10,22H,9H2,1H3
InChIKeyNESFNMLAJVIEEG-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.80
Rot. Bonds2

About (2-chlorophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone

(2-chlorophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone (PubChem CID 3123699) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is (2-chlorophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone
PubChem CID3123699
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name(2-chlorophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone
SMILESCC1=NN(C(=O)c2ccccc2Cl)C(O)(c2cccnc2)C1
InChIInChI=1S/C16H14ClN3O2/c1-11-9-16(22,12-5-4-8-18-10-12)20(19-11)15(21)13-6-2-3-7-14(13)17/h2-8,10,22H,9H2,1H3
InChIKeyNESFNMLAJVIEEG-UHFFFAOYSA-N
XLogP2.80
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone (CID 3123699) is (2-chlorophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone is CC1=NN(C(=O)c2ccccc2Cl)C(O)(c2cccnc2)C1.
What is the InChIKey of (2-chlorophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone?
The InChIKey is NESFNMLAJVIEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-11-9-16(22,12-5-4-8-18-10-12)20(19-11)15(21)13-6-2-3-7-14(13)17/h2-8,10,22H,9H2,1H3.
What are the key properties of (2-chlorophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone?
(2-chlorophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone has a molecular weight of 315.76 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone is sourced from PubChem (CID 3123699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).