1-methyl-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyrazole-4-carboxylic acid

C11H14N4O3 — CID 106372365

IUPAC1-methyl-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyrazole-4-carboxylic acid
SMILESCc1cnc(CNCc2c(C(=O)O)cnn2C)o1
InChIInChI=1S/C11H14N4O3/c1-7-3-13-10(18-7)6-12-5-9-8(11(16)17)4-14-15(9)2/h3-4,12H,5-6H2,1-2H3,(H,16,17)
InChIKeyCICKOVFUCIQYEO-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.70
Rot. Bonds5

About 1-methyl-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyrazole-4-carboxylic acid

1-methyl-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyrazole-4-carboxylic acid (PubChem CID 106372365) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-methyl-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyrazole-4-carboxylic acid
PubChem CID106372365
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name1-methyl-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyrazole-4-carboxylic acid
SMILESCc1cnc(CNCc2c(C(=O)O)cnn2C)o1
InChIInChI=1S/C11H14N4O3/c1-7-3-13-10(18-7)6-12-5-9-8(11(16)17)4-14-15(9)2/h3-4,12H,5-6H2,1-2H3,(H,16,17)
InChIKeyCICKOVFUCIQYEO-UHFFFAOYSA-N
XLogP0.70
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyrazole-4-carboxylic acid (CID 106372365) is 1-methyl-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyrazole-4-carboxylic acid is Cc1cnc(CNCc2c(C(=O)O)cnn2C)o1.
What is the InChIKey of 1-methyl-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyrazole-4-carboxylic acid?
The InChIKey is CICKOVFUCIQYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-7-3-13-10(18-7)6-12-5-9-8(11(16)17)4-14-15(9)2/h3-4,12H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 1-methyl-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyrazole-4-carboxylic acid?
1-methyl-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyrazole-4-carboxylic acid has a molecular weight of 250.26 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 106372365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).