3-[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazol-1-yl]propanoic acid

C13H18N4O2 — CID 167767334

IUPAC3-[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazol-1-yl]propanoic acid
SMILESCc1nn(C(C)C)cc1-c1cnn(CCC(=O)O)c1
InChIInChI=1S/C13H18N4O2/c1-9(2)17-8-12(10(3)15-17)11-6-14-16(7-11)5-4-13(18)19/h6-9H,4-5H2,1-3H3,(H,18,19)
InChIKeyBZNCJKSWHGZFEA-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.11
Rot. Bonds5

About 3-[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazol-1-yl]propanoic acid

3-[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazol-1-yl]propanoic acid (PubChem CID 167767334) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazol-1-yl]propanoic acid
PubChem CID167767334
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazol-1-yl]propanoic acid
SMILESCc1nn(C(C)C)cc1-c1cnn(CCC(=O)O)c1
InChIInChI=1S/C13H18N4O2/c1-9(2)17-8-12(10(3)15-17)11-6-14-16(7-11)5-4-13(18)19/h6-9H,4-5H2,1-3H3,(H,18,19)
InChIKeyBZNCJKSWHGZFEA-UHFFFAOYSA-N
XLogP2.11
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazol-1-yl]propanoic acid (CID 167767334) is 3-[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazol-1-yl]propanoic acid is Cc1nn(C(C)C)cc1-c1cnn(CCC(=O)O)c1.
What is the InChIKey of 3-[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazol-1-yl]propanoic acid?
The InChIKey is BZNCJKSWHGZFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9(2)17-8-12(10(3)15-17)11-6-14-16(7-11)5-4-13(18)19/h6-9H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 3-[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazol-1-yl]propanoic acid?
3-[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazol-1-yl]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 167767334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).