1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol

C18H17ClN2O — CID 151696156

IUPAC1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol
SMILESCCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C18H17ClN2O/c1-2-18(22,16-7-9-17(19)10-8-16)15-5-3-13(4-6-15)14-11-20-21-12-14/h3-12,22H,2H2,1H3,(H,20,21)
InChIKeyRDPGKCHQNYSFFG-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.38
Rot. Bonds4

About 1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol

1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol (PubChem CID 151696156) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol
PubChem CID151696156
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol
SMILESCCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C18H17ClN2O/c1-2-18(22,16-7-9-17(19)10-8-16)15-5-3-13(4-6-15)14-11-20-21-12-14/h3-12,22H,2H2,1H3,(H,20,21)
InChIKeyRDPGKCHQNYSFFG-UHFFFAOYSA-N
XLogP4.38
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol (CID 151696156) is 1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol is CCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol?
The InChIKey is RDPGKCHQNYSFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-2-18(22,16-7-9-17(19)10-8-16)15-5-3-13(4-6-15)14-11-20-21-12-14/h3-12,22H,2H2,1H3,(H,20,21).
What are the key properties of 1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol?
1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol has a molecular weight of 312.80 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol is sourced from PubChem (CID 151696156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).