3-(2-methyl-3,4-dihydro-2H-chromen-8-yl)-1H-pyrazole-5-carboxylic acid

C14H14N2O3 — CID 115003504

IUPAC3-(2-methyl-3,4-dihydro-2H-chromen-8-yl)-1H-pyrazole-5-carboxylic acid
SMILESCC1CCc2cccc(-c3cc(C(=O)O)[nH]n3)c2O1
InChIInChI=1S/C14H14N2O3/c1-8-5-6-9-3-2-4-10(13(9)19-8)11-7-12(14(17)18)16-15-11/h2-4,7-8H,5-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyZJPLDCLCQRVPJU-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.49
Rot. Bonds2

About 3-(2-methyl-3,4-dihydro-2H-chromen-8-yl)-1H-pyrazole-5-carboxylic acid

3-(2-methyl-3,4-dihydro-2H-chromen-8-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 115003504) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-(2-methyl-3,4-dihydro-2H-chromen-8-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-methyl-3,4-dihydro-2H-chromen-8-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID115003504
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3-(2-methyl-3,4-dihydro-2H-chromen-8-yl)-1H-pyrazole-5-carboxylic acid
SMILESCC1CCc2cccc(-c3cc(C(=O)O)[nH]n3)c2O1
InChIInChI=1S/C14H14N2O3/c1-8-5-6-9-3-2-4-10(13(9)19-8)11-7-12(14(17)18)16-15-11/h2-4,7-8H,5-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyZJPLDCLCQRVPJU-UHFFFAOYSA-N
XLogP2.49
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 83395870
3-(3-oxo-4H-1,4-benzoxazin-8-yl)-1H-pyrazole-5-carboxylic acid
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3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83395825
3-(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazole-5-carboxylic acid
CID 117404383
3-(2-cyclobutyloxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
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3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
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3-(1H-indol-7-yl)-1H-pyrazole-5-carboxylic acid
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3-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid
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3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3,4-dihydro-2H-chromen-8-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2-methyl-3,4-dihydro-2H-chromen-8-yl)-1H-pyrazole-5-carboxylic acid (CID 115003504) is 3-(2-methyl-3,4-dihydro-2H-chromen-8-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-methyl-3,4-dihydro-2H-chromen-8-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2-methyl-3,4-dihydro-2H-chromen-8-yl)-1H-pyrazole-5-carboxylic acid is CC1CCc2cccc(-c3cc(C(=O)O)[nH]n3)c2O1.
What is the InChIKey of 3-(2-methyl-3,4-dihydro-2H-chromen-8-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is ZJPLDCLCQRVPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-8-5-6-9-3-2-4-10(13(9)19-8)11-7-12(14(17)18)16-15-11/h2-4,7-8H,5-6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-(2-methyl-3,4-dihydro-2H-chromen-8-yl)-1H-pyrazole-5-carboxylic acid?
3-(2-methyl-3,4-dihydro-2H-chromen-8-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-3,4-dihydro-2H-chromen-8-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 115003504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).