5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxylic acid

C16H14N2O4 — CID 122559517

IUPAC5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxylic acid
SMILESCOc1ccc(Cn2cc(-c3ccc(C(=O)O)o3)cn2)cc1
InChIInChI=1S/C16H14N2O4/c1-21-13-4-2-11(3-5-13)9-18-10-12(8-17-18)14-6-7-15(22-14)16(19)20/h2-8,10H,9H2,1H3,(H,19,20)
InChIKeyKGGYMDYWIPKUMB-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.90
Rot. Bonds5

About 5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxylic acid

5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxylic acid (PubChem CID 122559517) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxylic acid
PubChem CID122559517
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxylic acid
SMILESCOc1ccc(Cn2cc(-c3ccc(C(=O)O)o3)cn2)cc1
InChIInChI=1S/C16H14N2O4/c1-21-13-4-2-11(3-5-13)9-18-10-12(8-17-18)14-6-7-15(22-14)16(19)20/h2-8,10H,9H2,1H3,(H,19,20)
InChIKeyKGGYMDYWIPKUMB-UHFFFAOYSA-N
XLogP2.90
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-yl]-morpholin-4-ylmethanone
CID 72927383
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 83894143
4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]aniline
CID 63328527
3-methoxy-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridazine
CID 72855762
(2S)-2-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]acetic acid
CID 97277528
4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole
CID 155787800
4-[4-(4-methoxyphenyl)pyrazol-1-yl]butanoic acid
CID 139033660
2-chloro-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridine
CID 137373649
5-[(4-methoxyphenyl)methylsulfonyl]furan-2-carboxylic acid
CID 63941435
4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]carbamoylamino]butanoic acid
CID 122022440
ethyl (E)-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]prop-2-enoate
CID 165134035
4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-6-propan-2-ylpyrimidine
CID 121496283

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxylic acid (CID 122559517) is 5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxylic acid is COc1ccc(Cn2cc(-c3ccc(C(=O)O)o3)cn2)cc1.
What is the InChIKey of 5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxylic acid?
The InChIKey is KGGYMDYWIPKUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-21-13-4-2-11(3-5-13)9-18-10-12(8-17-18)14-6-7-15(22-14)16(19)20/h2-8,10H,9H2,1H3,(H,19,20).
What are the key properties of 5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxylic acid?
5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxylic acid is sourced from PubChem (CID 122559517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).