4-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylic acid

C14H15N5O3 — CID 19623193

IUPAC4-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
SMILESCCn1cc(-c2ccn(Cc3c(C(=O)O)noc3C)n2)cn1
InChIInChI=1S/C14H15N5O3/c1-3-18-7-10(6-15-18)12-4-5-19(16-12)8-11-9(2)22-17-13(11)14(20)21/h4-7H,3,8H2,1-2H3,(H,20,21)
InChIKeyCUSFTUOZZJXJID-UHFFFAOYSA-N
MW301.31 g/mol
LogP1.81
Rot. Bonds5

About 4-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylic acid

4-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylic acid (PubChem CID 19623193) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is 4-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
PubChem CID19623193
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name4-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
SMILESCCn1cc(-c2ccn(Cc3c(C(=O)O)noc3C)n2)cn1
InChIInChI=1S/C14H15N5O3/c1-3-18-7-10(6-15-18)12-4-5-19(16-12)8-11-9(2)22-17-13(11)14(20)21/h4-7H,3,8H2,1-2H3,(H,20,21)
InChIKeyCUSFTUOZZJXJID-UHFFFAOYSA-N
XLogP1.81
TPSA98.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1-ethylpyrazol-4-yl)-2,6-dimethylbenzoic acid
CID 172876924
3-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-4-methoxybenzaldehyde
CID 19621330
4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 19442052
4-[(3-methoxy-4-nitropyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
CID 19623178
3,5-dimethyl-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,2-oxazole
CID 56787269
6-(1-ethylpyrazol-4-yl)-1-methylindole-4-carboxylic acid
CID 171369425
6-(1-ethylpyrazol-4-yl)-2-propylpyridine-3-carboxylic acid
CID 116533312
4-(bromomethyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 166604179
5-(1-ethylpyrazol-4-yl)pyridine-2-carboxylic acid
CID 62958306
4-[(4-chloropyrazol-1-yl)methyl]-N,N-dicyclohexyl-5-methyl-1,2-oxazole-3-carboxamide
CID 19441938
3-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]-5-methyl-1,2-oxazole-4-carboxylic acid
CID 138003915
4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
CID 19441991

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylic acid (CID 19623193) is 4-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylic acid is CCn1cc(-c2ccn(Cc3c(C(=O)O)noc3C)n2)cn1.
What is the InChIKey of 4-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylic acid?
The InChIKey is CUSFTUOZZJXJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c1-3-18-7-10(6-15-18)12-4-5-19(16-12)8-11-9(2)22-17-13(11)14(20)21/h4-7H,3,8H2,1-2H3,(H,20,21).
What are the key properties of 4-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylic acid?
4-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylic acid has a molecular weight of 301.31 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 19623193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).