2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid

C11H13N5O3 — CID 19504801

IUPAC2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(C(=O)Nc2cnn(C)c2)cn1
InChIInChI=1S/C11H13N5O3/c1-7(11(18)19)16-5-8(3-13-16)10(17)14-9-4-12-15(2)6-9/h3-7H,1-2H3,(H,14,17)(H,18,19)
InChIKeyCJIVNHPAUPQZCH-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.51
Rot. Bonds4

About 2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid

2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19504801) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19504801
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(C(=O)Nc2cnn(C)c2)cn1
InChIInChI=1S/C11H13N5O3/c1-7(11(18)19)16-5-8(3-13-16)10(17)14-9-4-12-15(2)6-9/h3-7H,1-2H3,(H,14,17)(H,18,19)
InChIKeyCJIVNHPAUPQZCH-UHFFFAOYSA-N
XLogP0.51
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid (CID 19504801) is 2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid is CC(C(=O)O)n1cc(C(=O)Nc2cnn(C)c2)cn1.
What is the InChIKey of 2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is CJIVNHPAUPQZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-7(11(18)19)16-5-8(3-13-16)10(17)14-9-4-12-15(2)6-9/h3-7H,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid?
2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 263.26 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19504801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).