2-[(1-ethylpyrazol-3-yl)amino]-4-methylpyrimidine-5-carboxylic acid

C11H13N5O2 — CID 114250917

IUPAC2-[(1-ethylpyrazol-3-yl)amino]-4-methylpyrimidine-5-carboxylic acid
SMILESCCn1ccc(Nc2ncc(C(=O)O)c(C)n2)n1
InChIInChI=1S/C11H13N5O2/c1-3-16-5-4-9(15-16)14-11-12-6-8(10(17)18)7(2)13-11/h4-6H,3H2,1-2H3,(H,17,18)(H,12,13,14,15)
InChIKeyYMZXUBLYIQZTCT-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.44
Rot. Bonds4

About 2-[(1-ethylpyrazol-3-yl)amino]-4-methylpyrimidine-5-carboxylic acid

2-[(1-ethylpyrazol-3-yl)amino]-4-methylpyrimidine-5-carboxylic acid (PubChem CID 114250917) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-3-yl)amino]-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-3-yl)amino]-4-methylpyrimidine-5-carboxylic acid
PubChem CID114250917
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name2-[(1-ethylpyrazol-3-yl)amino]-4-methylpyrimidine-5-carboxylic acid
SMILESCCn1ccc(Nc2ncc(C(=O)O)c(C)n2)n1
InChIInChI=1S/C11H13N5O2/c1-3-16-5-4-9(15-16)14-11-12-6-8(10(17)18)7(2)13-11/h4-6H,3H2,1-2H3,(H,17,18)(H,12,13,14,15)
InChIKeyYMZXUBLYIQZTCT-UHFFFAOYSA-N
XLogP1.44
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-3-yl)amino]-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-[(1-ethylpyrazol-3-yl)amino]-4-methylpyrimidine-5-carboxylic acid (CID 114250917) is 2-[(1-ethylpyrazol-3-yl)amino]-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[(1-ethylpyrazol-3-yl)amino]-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[(1-ethylpyrazol-3-yl)amino]-4-methylpyrimidine-5-carboxylic acid is CCn1ccc(Nc2ncc(C(=O)O)c(C)n2)n1.
What is the InChIKey of 2-[(1-ethylpyrazol-3-yl)amino]-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is YMZXUBLYIQZTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-3-16-5-4-9(15-16)14-11-12-6-8(10(17)18)7(2)13-11/h4-6H,3H2,1-2H3,(H,17,18)(H,12,13,14,15).
What are the key properties of 2-[(1-ethylpyrazol-3-yl)amino]-4-methylpyrimidine-5-carboxylic acid?
2-[(1-ethylpyrazol-3-yl)amino]-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 247.26 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-3-yl)amino]-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 114250917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).