2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butanoic acid

C11H18N2O2 — CID 81009367

IUPAC2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butanoic acid
SMILESCC(CCc1ccn(C(C)C)n1)C(=O)O
InChIInChI=1S/C11H18N2O2/c1-8(2)13-7-6-10(12-13)5-4-9(3)11(14)15/h6-9H,4-5H2,1-3H3,(H,14,15)
InChIKeyDSASCRSTBZXWGT-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.12
Rot. Bonds5

About 2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butanoic acid

2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butanoic acid (PubChem CID 81009367) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butanoic acid.

Molecular Properties

Compound Name2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butanoic acid
PubChem CID81009367
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butanoic acid
SMILESCC(CCc1ccn(C(C)C)n1)C(=O)O
InChIInChI=1S/C11H18N2O2/c1-8(2)13-7-6-10(12-13)5-4-9(3)11(14)15/h6-9H,4-5H2,1-3H3,(H,14,15)
InChIKeyDSASCRSTBZXWGT-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butanoic acid
CID 81008710
2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-ol
CID 64801344
3-ethoxy-3-oxo-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propanoic acid
CID 103973541
2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid
CID 64772577
2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid
CID 64772542
2-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propanoic acid
CID 64771244
1-(1-propan-2-ylpyrazol-3-yl)hexan-3-amine
CID 64773654
1-cyclopropyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-one
CID 64773472
1-methoxy-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 64771323
5-methyl-1-(1-propan-2-ylpyrazol-3-yl)hexan-2-one
CID 64771535
1-amino-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 116548395
diethyl 2-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propanedioate
CID 103972554

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butanoic acid?
The IUPAC name of 2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butanoic acid (CID 81009367) is 2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butanoic acid.
What is the SMILES notation for 2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butanoic acid?
The canonical SMILES for 2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butanoic acid is CC(CCc1ccn(C(C)C)n1)C(=O)O.
What is the InChIKey of 2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butanoic acid?
The InChIKey is DSASCRSTBZXWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(2)13-7-6-10(12-13)5-4-9(3)11(14)15/h6-9H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butanoic acid?
2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butanoic acid has a molecular weight of 210.28 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butanoic acid is sourced from PubChem (CID 81009367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).