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

C10H7FN2O3 — CID 117230392

IUPAC[1-(3-fluorophenyl)pyrazol-4-yl] hydrogen carbonate
SMILESO=C(O)Oc1cnn(-c2cccc(F)c2)c1
InChIInChI=1S/C10H7FN2O3/c11-7-2-1-3-8(4-7)13-6-9(5-12-13)16-10(14)15/h1-6H,(H,14,15)
InChIKeyGJLSVIMRKNZXGT-UHFFFAOYSA-N
MW222.18 g/mol
LogP2.07
Rot. Bonds2

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

[1-(3-fluorophenyl)pyrazol-4-yl] hydrogen carbonate (PubChem CID 117230392) has the molecular formula C10H7FN2O3 and a molecular weight of 222.18 g/mol. Its IUPAC name is [1-(3-fluorophenyl)pyrazol-4-yl] hydrogen carbonate.

Molecular Properties

Compound Name[1-(3-fluorophenyl)pyrazol-4-yl] hydrogen carbonate
PubChem CID117230392
Molecular FormulaC10H7FN2O3
Molecular Weight222.18 g/mol
Exact Mass222.04
IUPAC Name[1-(3-fluorophenyl)pyrazol-4-yl] hydrogen carbonate
SMILESO=C(O)Oc1cnn(-c2cccc(F)c2)c1
InChIInChI=1S/C10H7FN2O3/c11-7-2-1-3-8(4-7)13-6-9(5-12-13)16-10(14)15/h1-6H,(H,14,15)
InChIKeyGJLSVIMRKNZXGT-UHFFFAOYSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(3-fluorophenyl)pyrazol-4-yl] hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate
CID 117230396
4-[1-(3-fluorophenyl)pyrazol-4-yl]oxyphenol
CID 117229517
3-[1-(3-fluorophenyl)pyrazol-4-yl]oxyphenol
CID 117229390
1-[1-(3-fluorophenyl)pyrazol-4-yl]oxy-N-methylmethanamine
CID 117230345
4-(3-fluorophenoxy)-1-(3-methylphenyl)pyrazole
CID 117229378
3-(4-fluoropyrazol-1-yl)benzoic acid
CID 135296191
3-[1-(3-fluorophenyl)pyrazol-4-yl]-2,3-dihydroxypropanamide
CID 171869552
2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl-methylamino]-2-methylpropanoic acid
CID 154846007
[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-phenylmethanone
CID 53149302
2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
CID 82282985
1-(3-fluorophenyl)pyrazole-3,4-dicarboxylic acid
CID 82131402
2-(3-fluorophenyl)-1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]ethanone
CID 71842289

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)pyrazol-4-yl] hydrogen carbonate?
The IUPAC name of [1-(3-fluorophenyl)pyrazol-4-yl] hydrogen carbonate (CID 117230392) is [1-(3-fluorophenyl)pyrazol-4-yl] hydrogen carbonate.
What is the SMILES notation for [1-(3-fluorophenyl)pyrazol-4-yl] hydrogen carbonate?
The canonical SMILES for [1-(3-fluorophenyl)pyrazol-4-yl] hydrogen carbonate is O=C(O)Oc1cnn(-c2cccc(F)c2)c1.
What is the InChIKey of [1-(3-fluorophenyl)pyrazol-4-yl] hydrogen carbonate?
The InChIKey is GJLSVIMRKNZXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3/c11-7-2-1-3-8(4-7)13-6-9(5-12-13)16-10(14)15/h1-6H,(H,14,15).
What are the key properties of [1-(3-fluorophenyl)pyrazol-4-yl] hydrogen carbonate?
[1-(3-fluorophenyl)pyrazol-4-yl] hydrogen carbonate has a molecular weight of 222.18 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)pyrazol-4-yl] hydrogen carbonate is sourced from PubChem (CID 117230392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).