1-[[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoyl]cyclopropane-1-carboxylic acid

C14H19N3O3 — CID 134700003

IUPAC1-[[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(NC(=O)C2(C(=O)O)CC2)n(C(C)C2CC2)n1
InChIInChI=1S/C14H19N3O3/c1-8-7-11(17(16-8)9(2)10-3-4-10)15-12(18)14(5-6-14)13(19)20/h7,9-10H,3-6H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyMSKNXIRJCXCUFY-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.97
Rot. Bonds5

About 1-[[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoyl]cyclopropane-1-carboxylic acid

1-[[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 134700003) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID134700003
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(NC(=O)C2(C(=O)O)CC2)n(C(C)C2CC2)n1
InChIInChI=1S/C14H19N3O3/c1-8-7-11(17(16-8)9(2)10-3-4-10)15-12(18)14(5-6-14)13(19)20/h7,9-10H,3-6H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyMSKNXIRJCXCUFY-UHFFFAOYSA-N
XLogP1.97
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoyl]cyclopropane-1-carboxylic acid (CID 134700003) is 1-[[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoyl]cyclopropane-1-carboxylic acid is Cc1cc(NC(=O)C2(C(=O)O)CC2)n(C(C)C2CC2)n1.
What is the InChIKey of 1-[[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is MSKNXIRJCXCUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8-7-11(17(16-8)9(2)10-3-4-10)15-12(18)14(5-6-14)13(19)20/h7,9-10H,3-6H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 1-[[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoyl]cyclopropane-1-carboxylic acid?
1-[[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 134700003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).