3,5-dibromo-1H-pyrazole-4-carboxamide

C4H3Br2N3O — CID 154720056

IUPAC3,5-dibromo-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(Br)n[nH]c1Br
InChIInChI=1S/C4H3Br2N3O/c5-2-1(4(7)10)3(6)9-8-2/h(H2,7,10)(H,8,9)
InChIKeyNFBHMFAUHJMNRT-UHFFFAOYSA-N
MW268.90 g/mol
LogP1.03
Rot. Bonds1

About 3,5-dibromo-1H-pyrazole-4-carboxamide

3,5-dibromo-1H-pyrazole-4-carboxamide (PubChem CID 154720056) has the molecular formula C4H3Br2N3O and a molecular weight of 268.90 g/mol. Its IUPAC name is 3,5-dibromo-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dibromo-1H-pyrazole-4-carboxamide
PubChem CID154720056
Molecular FormulaC4H3Br2N3O
Molecular Weight268.90 g/mol
Exact Mass266.86
IUPAC Name3,5-dibromo-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(Br)n[nH]c1Br
InChIInChI=1S/C4H3Br2N3O/c5-2-1(4(7)10)3(6)9-8-2/h(H2,7,10)(H,8,9)
InChIKeyNFBHMFAUHJMNRT-UHFFFAOYSA-N
XLogP1.03
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.90
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-1H-pyrazole-4-carbaldehyde
CID 57434726
5-Bromopyrazolo[3,4-d]-s-triazin-4(3H)-one
CID 135833387
3-Amino-5-bromo-1H-pyrazole-4-carboxamide
CID 118024965
CID 143233080
CID 143233080

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dibromo-1H-pyrazole-4-carboxamide (CID 154720056) is 3,5-dibromo-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dibromo-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dibromo-1H-pyrazole-4-carboxamide is NC(=O)c1c(Br)n[nH]c1Br.
What is the InChIKey of 3,5-dibromo-1H-pyrazole-4-carboxamide?
The InChIKey is NFBHMFAUHJMNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Br2N3O/c5-2-1(4(7)10)3(6)9-8-2/h(H2,7,10)(H,8,9).
What are the key properties of 3,5-dibromo-1H-pyrazole-4-carboxamide?
3,5-dibromo-1H-pyrazole-4-carboxamide has a molecular weight of 268.90 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 154720056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).