5-(cyclopropylmethoxy)-1-propan-2-ylpyrazole-4-carboxylic acid

C11H16N2O3 — CID 97180466

IUPAC5-(cyclopropylmethoxy)-1-propan-2-ylpyrazole-4-carboxylic acid
SMILESCC(C)n1ncc(C(=O)O)c1OCC1CC1
InChIInChI=1S/C11H16N2O3/c1-7(2)13-10(16-6-8-3-4-8)9(5-12-13)11(14)15/h5,7-8H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyXWKJKLFEPGFKLR-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.95
Rot. Bonds5

About 5-(cyclopropylmethoxy)-1-propan-2-ylpyrazole-4-carboxylic acid

5-(cyclopropylmethoxy)-1-propan-2-ylpyrazole-4-carboxylic acid (PubChem CID 97180466) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-(cyclopropylmethoxy)-1-propan-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopropylmethoxy)-1-propan-2-ylpyrazole-4-carboxylic acid
PubChem CID97180466
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name5-(cyclopropylmethoxy)-1-propan-2-ylpyrazole-4-carboxylic acid
SMILESCC(C)n1ncc(C(=O)O)c1OCC1CC1
InChIInChI=1S/C11H16N2O3/c1-7(2)13-10(16-6-8-3-4-8)9(5-12-13)11(14)15/h5,7-8H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyXWKJKLFEPGFKLR-UHFFFAOYSA-N
XLogP1.95
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclopropylmethoxy)-1-methylpyrazole-4-carboxylic acid
CID 97180463
2-(cyclopropylmethoxy)-4-methylpyrimidine-5-carboxylic acid
CID 23020305
5-(ethylaminomethyl)-1-propan-2-ylpyrazole-4-carboxylic acid
CID 117218029
5-[(4-fluorophenoxy)methyl]-1-propan-2-ylpyrazole-4-carboxylic acid
CID 117217993
4-(cyclopropylmethoxymethyl)pyrimidine-5-carboxylic acid
CID 102973559
5-(dimethylcarbamoyl)-1-propan-2-ylpyrazole-4-carboxylic acid
CID 117219065
5-nitro-1-propan-2-ylpyrazole-4-carboxylic acid
CID 146680478
4-(cyclopentylmethoxy)pyridine-3-carboxylic acid
CID 81225610
5-[(2-fluorophenoxy)methyl]-1-propan-2-ylpyrazole-4-carboxylic acid
CID 117217943
4-methyl-2-(oxan-4-ylmethoxy)pyrimidine-5-carboxylic acid
CID 83181937
1-cyclobutyl-5-methoxypyrazole-4-carboxylic acid
CID 115068986
1-(5-cyclobutyl-1-propan-2-ylpyrazol-4-yl)ethanone
CID 105459519

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxy)-1-propan-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(cyclopropylmethoxy)-1-propan-2-ylpyrazole-4-carboxylic acid (CID 97180466) is 5-(cyclopropylmethoxy)-1-propan-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(cyclopropylmethoxy)-1-propan-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(cyclopropylmethoxy)-1-propan-2-ylpyrazole-4-carboxylic acid is CC(C)n1ncc(C(=O)O)c1OCC1CC1.
What is the InChIKey of 5-(cyclopropylmethoxy)-1-propan-2-ylpyrazole-4-carboxylic acid?
The InChIKey is XWKJKLFEPGFKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(2)13-10(16-6-8-3-4-8)9(5-12-13)11(14)15/h5,7-8H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 5-(cyclopropylmethoxy)-1-propan-2-ylpyrazole-4-carboxylic acid?
5-(cyclopropylmethoxy)-1-propan-2-ylpyrazole-4-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxy)-1-propan-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 97180466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).