5-[[3-(1-ethyl-3-methylpyrazol-4-yl)pyrazol-1-yl]methyl]furan-2-carboxylic acid

C15H16N4O3 — CID 19621345

IUPAC5-[[3-(1-ethyl-3-methylpyrazol-4-yl)pyrazol-1-yl]methyl]furan-2-carboxylic acid
SMILESCCn1cc(-c2ccn(Cc3ccc(C(=O)O)o3)n2)c(C)n1
InChIInChI=1S/C15H16N4O3/c1-3-18-9-12(10(2)16-18)13-6-7-19(17-13)8-11-4-5-14(22-11)15(20)21/h4-7,9H,3,8H2,1-2H3,(H,20,21)
InChIKeyPLBIAUAXSJHWFU-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.41
Rot. Bonds5

About 5-[[3-(1-ethyl-3-methylpyrazol-4-yl)pyrazol-1-yl]methyl]furan-2-carboxylic acid

5-[[3-(1-ethyl-3-methylpyrazol-4-yl)pyrazol-1-yl]methyl]furan-2-carboxylic acid (PubChem CID 19621345) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 5-[[3-(1-ethyl-3-methylpyrazol-4-yl)pyrazol-1-yl]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(1-ethyl-3-methylpyrazol-4-yl)pyrazol-1-yl]methyl]furan-2-carboxylic acid
PubChem CID19621345
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name5-[[3-(1-ethyl-3-methylpyrazol-4-yl)pyrazol-1-yl]methyl]furan-2-carboxylic acid
SMILESCCn1cc(-c2ccn(Cc3ccc(C(=O)O)o3)n2)c(C)n1
InChIInChI=1S/C15H16N4O3/c1-3-18-9-12(10(2)16-18)13-6-7-19(17-13)8-11-4-5-14(22-11)15(20)21/h4-7,9H,3,8H2,1-2H3,(H,20,21)
InChIKeyPLBIAUAXSJHWFU-UHFFFAOYSA-N
XLogP2.41
TPSA86.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-(1-ethyl-3-methylpyrazol-4-yl)pyrazol-1-yl]methyl]benzoic acid
CID 19621343
5-[(3-cyclopropylpyrazol-1-yl)methyl]furan-2-carboxylic acid
CID 64778183
2-[3-(1-ethyl-3-methylpyrazol-4-yl)pyrazol-1-yl]ethanamine
CID 19621340
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19288625
5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 20992392
5-(1-ethyl-3-methylpyrazol-4-yl)thiophene-3-carboxylic acid
CID 79684216
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid
CID 736773
1-ethyl-3-methyl-4-phenylpyrazole
CID 59678081
2-[3-(1,3-dimethylpyrazol-4-yl)pyrazol-1-yl]acetic acid
CID 19621295
5-[(4-aminopyrazol-1-yl)methyl]furan-2-carboxylic acid;hydrochloride
CID 90484260
[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19333950
N-[[4-(1-ethyl-3-methylpyrazol-4-yl)phenyl]methyl]ethanamine
CID 66020203

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(1-ethyl-3-methylpyrazol-4-yl)pyrazol-1-yl]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[3-(1-ethyl-3-methylpyrazol-4-yl)pyrazol-1-yl]methyl]furan-2-carboxylic acid (CID 19621345) is 5-[[3-(1-ethyl-3-methylpyrazol-4-yl)pyrazol-1-yl]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(1-ethyl-3-methylpyrazol-4-yl)pyrazol-1-yl]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[3-(1-ethyl-3-methylpyrazol-4-yl)pyrazol-1-yl]methyl]furan-2-carboxylic acid is CCn1cc(-c2ccn(Cc3ccc(C(=O)O)o3)n2)c(C)n1.
What is the InChIKey of 5-[[3-(1-ethyl-3-methylpyrazol-4-yl)pyrazol-1-yl]methyl]furan-2-carboxylic acid?
The InChIKey is PLBIAUAXSJHWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-3-18-9-12(10(2)16-18)13-6-7-19(17-13)8-11-4-5-14(22-11)15(20)21/h4-7,9H,3,8H2,1-2H3,(H,20,21).
What are the key properties of 5-[[3-(1-ethyl-3-methylpyrazol-4-yl)pyrazol-1-yl]methyl]furan-2-carboxylic acid?
5-[[3-(1-ethyl-3-methylpyrazol-4-yl)pyrazol-1-yl]methyl]furan-2-carboxylic acid has a molecular weight of 300.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(1-ethyl-3-methylpyrazol-4-yl)pyrazol-1-yl]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 19621345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).