2-[4-[(4-chlorophenyl)methyl]-1H-pyrazol-5-yl]phenol

C16H13ClN2O — CID 135425150

IUPAC2-[4-[(4-chlorophenyl)methyl]-1H-pyrazol-5-yl]phenol
SMILESOc1ccccc1-c1[nH]ncc1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O/c17-13-7-5-11(6-8-13)9-12-10-18-19-16(12)14-3-1-2-4-15(14)20/h1-8,10,20H,9H2,(H,18,19)
InChIKeyNETRZDWEMMXBAP-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.03
Rot. Bonds3

About 2-[4-[(4-chlorophenyl)methyl]-1H-pyrazol-5-yl]phenol

2-[4-[(4-chlorophenyl)methyl]-1H-pyrazol-5-yl]phenol (PubChem CID 135425150) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methyl]-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methyl]-1H-pyrazol-5-yl]phenol
PubChem CID135425150
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name2-[4-[(4-chlorophenyl)methyl]-1H-pyrazol-5-yl]phenol
SMILESOc1ccccc1-c1[nH]ncc1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O/c17-13-7-5-11(6-8-13)9-12-10-18-19-16(12)14-3-1-2-4-15(14)20/h1-8,10,20H,9H2,(H,18,19)
InChIKeyNETRZDWEMMXBAP-UHFFFAOYSA-N
XLogP4.03
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methyl]-1H-pyrazol-5-yl]phenol?
The IUPAC name of 2-[4-[(4-chlorophenyl)methyl]-1H-pyrazol-5-yl]phenol (CID 135425150) is 2-[4-[(4-chlorophenyl)methyl]-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methyl]-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methyl]-1H-pyrazol-5-yl]phenol is Oc1ccccc1-c1[nH]ncc1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methyl]-1H-pyrazol-5-yl]phenol?
The InChIKey is NETRZDWEMMXBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-13-7-5-11(6-8-13)9-12-10-18-19-16(12)14-3-1-2-4-15(14)20/h1-8,10,20H,9H2,(H,18,19).
What are the key properties of 2-[4-[(4-chlorophenyl)methyl]-1H-pyrazol-5-yl]phenol?
2-[4-[(4-chlorophenyl)methyl]-1H-pyrazol-5-yl]phenol has a molecular weight of 284.75 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methyl]-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 135425150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).