3-bromo-5-methyl-1H-pyrazole;N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide

C13H19BrN4O2 — CID 145062823

IUPAC3-bromo-5-methyl-1H-pyrazole;N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide
SMILESCc1cc(Br)n[nH]1.O=CN1CCC(NC(=O)C2CC2)C1
InChIInChI=1S/C9H14N2O2.C4H5BrN2/c12-6-11-4-3-8(5-11)10-9(13)7-1-2-7;1-3-2-4(5)7-6-3/h6-8H,1-5H2,(H,10,13);2H,1H3,(H,6,7)
InChIKeyRVWCOAMEQMORTM-UHFFFAOYSA-N
MW343.23 g/mol
LogP1.22
Rot. Bonds3

About 3-bromo-5-methyl-1H-pyrazole;N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide

3-bromo-5-methyl-1H-pyrazole;N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide (PubChem CID 145062823) has the molecular formula C13H19BrN4O2 and a molecular weight of 343.23 g/mol. Its IUPAC name is 3-bromo-5-methyl-1H-pyrazole;N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide.

Molecular Properties

Compound Name3-bromo-5-methyl-1H-pyrazole;N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide
PubChem CID145062823
Molecular FormulaC13H19BrN4O2
Molecular Weight343.23 g/mol
Exact Mass342.07
IUPAC Name3-bromo-5-methyl-1H-pyrazole;N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide
SMILESCc1cc(Br)n[nH]1.O=CN1CCC(NC(=O)C2CC2)C1
InChIInChI=1S/C9H14N2O2.C4H5BrN2/c12-6-11-4-3-8(5-11)10-9(13)7-1-2-7;1-3-2-4(5)7-6-3/h6-8H,1-5H2,(H,10,13);2H,1H3,(H,6,7)
InChIKeyRVWCOAMEQMORTM-UHFFFAOYSA-N
XLogP1.22
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-1H-pyrazole;N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide?
The IUPAC name of 3-bromo-5-methyl-1H-pyrazole;N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide (CID 145062823) is 3-bromo-5-methyl-1H-pyrazole;N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide.
What is the SMILES notation for 3-bromo-5-methyl-1H-pyrazole;N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide?
The canonical SMILES for 3-bromo-5-methyl-1H-pyrazole;N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide is Cc1cc(Br)n[nH]1.O=CN1CCC(NC(=O)C2CC2)C1.
What is the InChIKey of 3-bromo-5-methyl-1H-pyrazole;N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide?
The InChIKey is RVWCOAMEQMORTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2.C4H5BrN2/c12-6-11-4-3-8(5-11)10-9(13)7-1-2-7;1-3-2-4(5)7-6-3/h6-8H,1-5H2,(H,10,13);2H,1H3,(H,6,7).
What are the key properties of 3-bromo-5-methyl-1H-pyrazole;N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide?
3-bromo-5-methyl-1H-pyrazole;N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide has a molecular weight of 343.23 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-1H-pyrazole;N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide is sourced from PubChem (CID 145062823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).