2-[2-[(5-carbamoyl-1-methyl-3-propylpyrazol-4-yl)amino]-2-oxoethoxy]acetic acid

C12H18N4O5 — CID 22286965

IUPAC2-[2-[(5-carbamoyl-1-methyl-3-propylpyrazol-4-yl)amino]-2-oxoethoxy]acetic acid
SMILESCCCc1nn(C)c(C(N)=O)c1NC(=O)COCC(=O)O
InChIInChI=1S/C12H18N4O5/c1-3-4-7-10(11(12(13)20)16(2)15-7)14-8(17)5-21-6-9(18)19/h3-6H2,1-2H3,(H2,13,20)(H,14,17)(H,18,19)
InChIKeyRUNMWKLQBVQFTG-UHFFFAOYSA-N
MW298.30 g/mol
LogP-0.49
Rot. Bonds8

About 2-[2-[(5-carbamoyl-1-methyl-3-propylpyrazol-4-yl)amino]-2-oxoethoxy]acetic acid

2-[2-[(5-carbamoyl-1-methyl-3-propylpyrazol-4-yl)amino]-2-oxoethoxy]acetic acid (PubChem CID 22286965) has the molecular formula C12H18N4O5 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-[2-[(5-carbamoyl-1-methyl-3-propylpyrazol-4-yl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-carbamoyl-1-methyl-3-propylpyrazol-4-yl)amino]-2-oxoethoxy]acetic acid
PubChem CID22286965
Molecular FormulaC12H18N4O5
Molecular Weight298.30 g/mol
Exact Mass298.13
IUPAC Name2-[2-[(5-carbamoyl-1-methyl-3-propylpyrazol-4-yl)amino]-2-oxoethoxy]acetic acid
SMILESCCCc1nn(C)c(C(N)=O)c1NC(=O)COCC(=O)O
InChIInChI=1S/C12H18N4O5/c1-3-4-7-10(11(12(13)20)16(2)15-7)14-8(17)5-21-6-9(18)19/h3-6H2,1-2H3,(H2,13,20)(H,14,17)(H,18,19)
InChIKeyRUNMWKLQBVQFTG-UHFFFAOYSA-N
XLogP-0.49
TPSA136.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-carbamoyl-1-methyl-3-propylpyrazol-4-yl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(5-carbamoyl-1-methyl-3-propylpyrazol-4-yl)amino]-2-oxoethoxy]acetic acid (CID 22286965) is 2-[2-[(5-carbamoyl-1-methyl-3-propylpyrazol-4-yl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(5-carbamoyl-1-methyl-3-propylpyrazol-4-yl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(5-carbamoyl-1-methyl-3-propylpyrazol-4-yl)amino]-2-oxoethoxy]acetic acid is CCCc1nn(C)c(C(N)=O)c1NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[(5-carbamoyl-1-methyl-3-propylpyrazol-4-yl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is RUNMWKLQBVQFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O5/c1-3-4-7-10(11(12(13)20)16(2)15-7)14-8(17)5-21-6-9(18)19/h3-6H2,1-2H3,(H2,13,20)(H,14,17)(H,18,19).
What are the key properties of 2-[2-[(5-carbamoyl-1-methyl-3-propylpyrazol-4-yl)amino]-2-oxoethoxy]acetic acid?
2-[2-[(5-carbamoyl-1-methyl-3-propylpyrazol-4-yl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 298.30 g/mol, XLogP of -0.49, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-carbamoyl-1-methyl-3-propylpyrazol-4-yl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 22286965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).