4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

C12H15BrN4O2 — CID 56782601

IUPAC4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1noc(C)c1NC(=O)c1n[nH]c(C(C)C)c1Br
InChIInChI=1S/C12H15BrN4O2/c1-5(2)9-8(13)11(16-15-9)12(18)14-10-6(3)17-19-7(10)4/h5H,1-4H3,(H,14,18)(H,15,16)
InChIKeyZKZSMUYPTOUAAP-UHFFFAOYSA-N
MW327.18 g/mol
LogP3.15
Rot. Bonds3

About 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 56782601) has the molecular formula C12H15BrN4O2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID56782601
Molecular FormulaC12H15BrN4O2
Molecular Weight327.18 g/mol
Exact Mass326.04
IUPAC Name4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1noc(C)c1NC(=O)c1n[nH]c(C(C)C)c1Br
InChIInChI=1S/C12H15BrN4O2/c1-5(2)9-8(13)11(16-15-9)12(18)14-10-6(3)17-19-7(10)4/h5H,1-4H3,(H,14,18)(H,15,16)
InChIKeyZKZSMUYPTOUAAP-UHFFFAOYSA-N
XLogP3.15
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 56782601) is 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is Cc1noc(C)c1NC(=O)c1n[nH]c(C(C)C)c1Br.
What is the InChIKey of 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is ZKZSMUYPTOUAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2/c1-5(2)9-8(13)11(16-15-9)12(18)14-10-6(3)17-19-7(10)4/h5H,1-4H3,(H,14,18)(H,15,16).
What are the key properties of 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 327.18 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56782601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).