tert-butyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate

C15H16N2O4 — CID 4792870

IUPACtert-butyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(C(=O)c2ccccc2O)cn1
InChIInChI=1S/C15H16N2O4/c1-15(2,3)21-14(20)17-9-10(8-16-17)13(19)11-6-4-5-7-12(11)18/h4-9,18H,1-3H3
InChIKeyYDMOISUUVRGNCF-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.60
Rot. Bonds2

About tert-butyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate

tert-butyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate (PubChem CID 4792870) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is tert-butyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate
PubChem CID4792870
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Nametert-butyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(C(=O)c2ccccc2O)cn1
InChIInChI=1S/C15H16N2O4/c1-15(2,3)21-14(20)17-9-10(8-16-17)13(19)11-6-4-5-7-12(11)18/h4-9,18H,1-3H3
InChIKeyYDMOISUUVRGNCF-UHFFFAOYSA-N
XLogP2.60
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Hydroxyphenyl 1-phenyl-1H-pyrazol-4-yl ketone
CID 688697
Ethyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate
CID 4792887
(2-hydroxyphenyl)[1-(4-methylphenyl)-1H-pyrazol-4-yl]methanone
CID 1481829
[4-(2-Hydroxy-5-methylbenzoyl)pyrazol-1-yl]-(4-methoxyphenyl)methanone
CID 2116213
[3-(Dimethylamino)phenyl]-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]methanone
CID 2999309
[4-(2-Hydroxy-5-methoxybenzoyl)pyrazol-1-yl]-(4-methylphenyl)methanone
CID 8194573
[1-(2-Fluorobenzoyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone
CID 4827601
[4-(2-Hydroxybenzoyl)pyrazol-1-yl]-phenylmethanone
CID 3914259
1-[2-[4-(2-Hydroxybenzoyl)pyrazol-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 4789383
[4-(2-Hydroxybenzoyl)pyrazol-1-yl]-(4-hydroxyphenyl)methanone
CID 2537626
N-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47466877
2-[1-(2-Hydroxy-5-methylbenzoyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 84593854

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate (CID 4792870) is tert-butyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate is CC(C)(C)OC(=O)n1cc(C(=O)c2ccccc2O)cn1.
What is the InChIKey of tert-butyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate?
The InChIKey is YDMOISUUVRGNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-15(2,3)21-14(20)17-9-10(8-16-17)13(19)11-6-4-5-7-12(11)18/h4-9,18H,1-3H3.
What are the key properties of tert-butyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate?
tert-butyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate has a molecular weight of 288.30 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate is sourced from PubChem (CID 4792870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).