3-[3-(2-methoxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid

C14H16N2O3 — CID 115111283

IUPAC3-[3-(2-methoxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid
SMILESCOC(C)Cc1cccc(-c2cc(C(=O)O)[nH]n2)c1
InChIInChI=1S/C14H16N2O3/c1-9(19-2)6-10-4-3-5-11(7-10)12-8-13(14(17)18)16-15-12/h3-5,7-9H,6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyCRXRYCKMGZLUPN-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.35
Rot. Bonds5

About 3-[3-(2-methoxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid

3-[3-(2-methoxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 115111283) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[3-(2-methoxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[3-(2-methoxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid
PubChem CID115111283
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-[3-(2-methoxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid
SMILESCOC(C)Cc1cccc(-c2cc(C(=O)O)[nH]n2)c1
InChIInChI=1S/C14H16N2O3/c1-9(19-2)6-10-4-3-5-11(7-10)12-8-13(14(17)18)16-15-12/h3-5,7-9H,6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyCRXRYCKMGZLUPN-UHFFFAOYSA-N
XLogP2.35
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenyl)-1H-pyrazole-5-carboxylic acid;ethane
CID 143798874
3-[3-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117459650
3-[4-(2-hydroxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117367670
3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 4559405
3-(3-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117419417
3-[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 115111313
3-(3-phenyl-4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117491617
3-[4-(2,2-difluoroethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117383204
3-[3,5-bis(phenylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid
CID 4017523
3-[2-(1-methoxyethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 115111272
3-(3-bromophenyl)-N-[(2S)-3-(3-bromophenyl)-1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
CID 170223650
methyl 3-(3-bromophenyl)-1H-pyrazole-5-carboxylate
CID 45496305

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[3-(2-methoxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid (CID 115111283) is 3-[3-(2-methoxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[3-(2-methoxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[3-(2-methoxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid is COC(C)Cc1cccc(-c2cc(C(=O)O)[nH]n2)c1.
What is the InChIKey of 3-[3-(2-methoxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is CRXRYCKMGZLUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(19-2)6-10-4-3-5-11(7-10)12-8-13(14(17)18)16-15-12/h3-5,7-9H,6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-[3-(2-methoxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid?
3-[3-(2-methoxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 115111283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).