5-bromo-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide

C10H7BrF2N4O — CID 118130809

IUPAC5-bromo-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2c(F)cncc2F)cc1Br
InChIInChI=1S/C10H7BrF2N4O/c1-17-8(11)2-7(16-17)10(18)15-9-5(12)3-14-4-6(9)13/h2-4H,1H3,(H,14,15,18)
InChIKeyYIVINTJDAAPMDV-UHFFFAOYSA-N
MW317.09 g/mol
LogP2.11
Rot. Bonds2

About 5-bromo-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide

5-bromo-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide (PubChem CID 118130809) has the molecular formula C10H7BrF2N4O and a molecular weight of 317.09 g/mol. Its IUPAC name is 5-bromo-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide
PubChem CID118130809
Molecular FormulaC10H7BrF2N4O
Molecular Weight317.09 g/mol
Exact Mass315.98
IUPAC Name5-bromo-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2c(F)cncc2F)cc1Br
InChIInChI=1S/C10H7BrF2N4O/c1-17-8(11)2-7(16-17)10(18)15-9-5(12)3-14-4-6(9)13/h2-4H,1H3,(H,14,15,18)
InChIKeyYIVINTJDAAPMDV-UHFFFAOYSA-N
XLogP2.11
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.09
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-bromo-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide (CID 118130809) is 5-bromo-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)Nc2c(F)cncc2F)cc1Br.
What is the InChIKey of 5-bromo-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is YIVINTJDAAPMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2N4O/c1-17-8(11)2-7(16-17)10(18)15-9-5(12)3-14-4-6(9)13/h2-4H,1H3,(H,14,15,18).
What are the key properties of 5-bromo-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide?
5-bromo-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 317.09 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 118130809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).