[1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate

C11H10N2O4 — CID 117230396

IUPAC[1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate
SMILESCOc1cccc(-n2cc(OC(=O)O)cn2)c1
InChIInChI=1S/C11H10N2O4/c1-16-9-4-2-3-8(5-9)13-7-10(6-12-13)17-11(14)15/h2-7H,1H3,(H,14,15)
InChIKeyJKHOYQANDXYOAY-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.94
Rot. Bonds3

About [1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate

[1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate (PubChem CID 117230396) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is [1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate.

Molecular Properties

Compound Name[1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate
PubChem CID117230396
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name[1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate
SMILESCOc1cccc(-n2cc(OC(=O)O)cn2)c1
InChIInChI=1S/C11H10N2O4/c1-16-9-4-2-3-8(5-9)13-7-10(6-12-13)17-11(14)15/h2-7H,1H3,(H,14,15)
InChIKeyJKHOYQANDXYOAY-UHFFFAOYSA-N
XLogP1.94
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-fluorophenyl)pyrazol-4-yl] hydrogen carbonate
CID 117230392
4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole
CID 117229524
2-[1-(3-methoxyphenyl)pyrazol-4-yl]oxyethanamine
CID 117229758
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrrol-1-ylpropanamide
CID 131945038
4-(4-bromophenyl)-1-(3-methoxyphenyl)pyrazole
CID 114798689
[1-[5-chloro-6-(3-methoxyphenyl)sulfonyl-1H-benzimidazol-2-yl]pyrazol-4-yl] hydrogen carbonate
CID 90329393
(3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088954
2-[1-(3-methoxyphenyl)pyrazol-3-yl]acetic acid
CID 82390451
1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylethanamine
CID 105489793
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(N-methylanilino)acetamide
CID 70732597
3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000530
(2-hydroxy-5-propan-2-yloxyphenyl)-[1-(3-methoxyphenyl)pyrazol-4-yl]methanone
CID 42882744

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate?
The IUPAC name of [1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate (CID 117230396) is [1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate.
What is the SMILES notation for [1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate?
The canonical SMILES for [1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate is COc1cccc(-n2cc(OC(=O)O)cn2)c1.
What is the InChIKey of [1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate?
The InChIKey is JKHOYQANDXYOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-16-9-4-2-3-8(5-9)13-7-10(6-12-13)17-11(14)15/h2-7H,1H3,(H,14,15).
What are the key properties of [1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate?
[1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate has a molecular weight of 234.21 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate is sourced from PubChem (CID 117230396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).