4-bromo-N-(1-fluoropropan-2-yl)-1H-pyrazole-5-carboxamide

C7H9BrFN3O — CID 126988714

IUPAC4-bromo-N-(1-fluoropropan-2-yl)-1H-pyrazole-5-carboxamide
SMILESCC(CF)NC(=O)c1[nH]ncc1Br
InChIInChI=1S/C7H9BrFN3O/c1-4(2-9)11-7(13)6-5(8)3-10-12-6/h3-4H,2H2,1H3,(H,10,12)(H,11,13)
InChIKeyQBVBQKQYGDQLIN-UHFFFAOYSA-N
MW250.07 g/mol
LogP1.26
Rot. Bonds3

About 4-bromo-N-(1-fluoropropan-2-yl)-1H-pyrazole-5-carboxamide

4-bromo-N-(1-fluoropropan-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 126988714) has the molecular formula C7H9BrFN3O and a molecular weight of 250.07 g/mol. Its IUPAC name is 4-bromo-N-(1-fluoropropan-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(1-fluoropropan-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID126988714
Molecular FormulaC7H9BrFN3O
Molecular Weight250.07 g/mol
Exact Mass248.99
IUPAC Name4-bromo-N-(1-fluoropropan-2-yl)-1H-pyrazole-5-carboxamide
SMILESCC(CF)NC(=O)c1[nH]ncc1Br
InChIInChI=1S/C7H9BrFN3O/c1-4(2-9)11-7(13)6-5(8)3-10-12-6/h3-4H,2H2,1H3,(H,10,12)(H,11,13)
InChIKeyQBVBQKQYGDQLIN-UHFFFAOYSA-N
XLogP1.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.07
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-fluoropropan-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-(1-fluoropropan-2-yl)-1H-pyrazole-5-carboxamide (CID 126988714) is 4-bromo-N-(1-fluoropropan-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-(1-fluoropropan-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-(1-fluoropropan-2-yl)-1H-pyrazole-5-carboxamide is CC(CF)NC(=O)c1[nH]ncc1Br.
What is the InChIKey of 4-bromo-N-(1-fluoropropan-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is QBVBQKQYGDQLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrFN3O/c1-4(2-9)11-7(13)6-5(8)3-10-12-6/h3-4H,2H2,1H3,(H,10,12)(H,11,13).
What are the key properties of 4-bromo-N-(1-fluoropropan-2-yl)-1H-pyrazole-5-carboxamide?
4-bromo-N-(1-fluoropropan-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 250.07 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-fluoropropan-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 126988714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).