[1-(2-chlorophenyl)-3-propan-2-ylpyrazol-5-yl] naphthalene-1-carboxylate

C23H19ClN2O2 — CID 7296154

IUPAC[1-(2-chlorophenyl)-3-propan-2-ylpyrazol-5-yl] naphthalene-1-carboxylate
SMILESCC(C)c1cc(OC(=O)c2cccc3ccccc23)n(-c2ccccc2Cl)n1
InChIInChI=1S/C23H19ClN2O2/c1-15(2)20-14-22(26(25-20)21-13-6-5-12-19(21)24)28-23(27)18-11-7-9-16-8-3-4-10-17(16)18/h3-15H,1-2H3
InChIKeyNTFAEPURDFOJOR-UHFFFAOYSA-N
MW390.87 g/mol
LogP6.02
Rot. Bonds4

About [1-(2-chlorophenyl)-3-propan-2-ylpyrazol-5-yl] naphthalene-1-carboxylate

[1-(2-chlorophenyl)-3-propan-2-ylpyrazol-5-yl] naphthalene-1-carboxylate (PubChem CID 7296154) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-3-propan-2-ylpyrazol-5-yl] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-3-propan-2-ylpyrazol-5-yl] naphthalene-1-carboxylate
PubChem CID7296154
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC Name[1-(2-chlorophenyl)-3-propan-2-ylpyrazol-5-yl] naphthalene-1-carboxylate
SMILESCC(C)c1cc(OC(=O)c2cccc3ccccc23)n(-c2ccccc2Cl)n1
InChIInChI=1S/C23H19ClN2O2/c1-15(2)20-14-22(26(25-20)21-13-6-5-12-19(21)24)28-23(27)18-11-7-9-16-8-3-4-10-17(16)18/h3-15H,1-2H3
InChIKeyNTFAEPURDFOJOR-UHFFFAOYSA-N
XLogP6.02
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-chlorophenyl)-3-propan-2-ylpyrazol-5-yl] 4-fluorobenzoate
CID 42727847
[1-(2-chlorophenyl)-3-propan-2-ylpyrazol-5-yl] furan-2-carboxylate
CID 42727911
[1-(2-chlorophenyl)-3-propan-2-ylpyrazol-5-yl] hexanoate
CID 42727912
[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl] 2-fluorobenzoate
CID 1061617
[1-(3-chlorophenyl)-3-propan-2-ylpyrazol-5-yl] 2,2-dimethylpropanoate
CID 42727215
[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl] naphthalene-1-carboxylate
CID 42726997
[4-(4-chlorophenyl)sulfanyl-3-methyl-1-phenylpyrazol-5-yl] naphthalene-1-carboxylate
CID 5140345
[5-chloro-2-(naphthalene-1-carbonyloxy)-4-pyridinyl] naphthalene-1-carboxylate
CID 14049610
[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl] 2-chlorobenzoate
CID 42727573
1-hydroxyethyl naphthalene-1-carboxylate
CID 70181591
but-3-yn-2-yl naphthalene-1-carboxylate
CID 20569047
(2,3,4,5-tetrachloro-6-hydroxyphenyl) naphthalene-1-carboxylate
CID 134111711

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-3-propan-2-ylpyrazol-5-yl] naphthalene-1-carboxylate?
The IUPAC name of [1-(2-chlorophenyl)-3-propan-2-ylpyrazol-5-yl] naphthalene-1-carboxylate (CID 7296154) is [1-(2-chlorophenyl)-3-propan-2-ylpyrazol-5-yl] naphthalene-1-carboxylate.
What is the SMILES notation for [1-(2-chlorophenyl)-3-propan-2-ylpyrazol-5-yl] naphthalene-1-carboxylate?
The canonical SMILES for [1-(2-chlorophenyl)-3-propan-2-ylpyrazol-5-yl] naphthalene-1-carboxylate is CC(C)c1cc(OC(=O)c2cccc3ccccc23)n(-c2ccccc2Cl)n1.
What is the InChIKey of [1-(2-chlorophenyl)-3-propan-2-ylpyrazol-5-yl] naphthalene-1-carboxylate?
The InChIKey is NTFAEPURDFOJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c1-15(2)20-14-22(26(25-20)21-13-6-5-12-19(21)24)28-23(27)18-11-7-9-16-8-3-4-10-17(16)18/h3-15H,1-2H3.
What are the key properties of [1-(2-chlorophenyl)-3-propan-2-ylpyrazol-5-yl] naphthalene-1-carboxylate?
[1-(2-chlorophenyl)-3-propan-2-ylpyrazol-5-yl] naphthalene-1-carboxylate has a molecular weight of 390.87 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-3-propan-2-ylpyrazol-5-yl] naphthalene-1-carboxylate is sourced from PubChem (CID 7296154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).