1-tert-butyl-3-cyclopropyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazole-5-carboxamide

C17H28N4O2 — CID 47039503

IUPAC1-tert-butyl-3-cyclopropyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazole-5-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)c1cc(C2CC2)nn1C(C)(C)C
InChIInChI=1S/C17H28N4O2/c1-11(2)15(22)18-8-9-19-16(23)14-10-13(12-6-7-12)20-21(14)17(3,4)5/h10-12H,6-9H2,1-5H3,(H,18,22)(H,19,23)
InChIKeyAMIALHVFCJFRHK-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.02
Rot. Bonds6

About 1-tert-butyl-3-cyclopropyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazole-5-carboxamide

1-tert-butyl-3-cyclopropyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazole-5-carboxamide (PubChem CID 47039503) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-tert-butyl-3-cyclopropyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-3-cyclopropyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazole-5-carboxamide
PubChem CID47039503
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-tert-butyl-3-cyclopropyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazole-5-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)c1cc(C2CC2)nn1C(C)(C)C
InChIInChI=1S/C17H28N4O2/c1-11(2)15(22)18-8-9-19-16(23)14-10-13(12-6-7-12)20-21(14)17(3,4)5/h10-12H,6-9H2,1-5H3,(H,18,22)(H,19,23)
InChIKeyAMIALHVFCJFRHK-UHFFFAOYSA-N
XLogP2.02
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-cyclopropyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 1-tert-butyl-3-cyclopropyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazole-5-carboxamide (CID 47039503) is 1-tert-butyl-3-cyclopropyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-tert-butyl-3-cyclopropyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-tert-butyl-3-cyclopropyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazole-5-carboxamide is CC(C)C(=O)NCCNC(=O)c1cc(C2CC2)nn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-cyclopropyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazole-5-carboxamide?
The InChIKey is AMIALHVFCJFRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-11(2)15(22)18-8-9-19-16(23)14-10-13(12-6-7-12)20-21(14)17(3,4)5/h10-12H,6-9H2,1-5H3,(H,18,22)(H,19,23).
What are the key properties of 1-tert-butyl-3-cyclopropyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazole-5-carboxamide?
1-tert-butyl-3-cyclopropyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazole-5-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-cyclopropyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 47039503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).