4-bromo-5-methyl-N-[2-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrazole-3-carboxamide

C12H14BrN5O2 — CID 136567281

IUPAC4-bromo-5-methyl-N-[2-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2ccnn2C2CCOC2)c1Br
InChIInChI=1S/C12H14BrN5O2/c1-7-10(13)11(17-16-7)12(19)15-9-2-4-14-18(9)8-3-5-20-6-8/h2,4,8H,3,5-6H2,1H3,(H,15,19)(H,16,17)
InChIKeyPVYKMHRCLKHMSM-UHFFFAOYSA-N
MW340.18 g/mol
LogP1.89
Rot. Bonds3

About 4-bromo-5-methyl-N-[2-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrazole-3-carboxamide

4-bromo-5-methyl-N-[2-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 136567281) has the molecular formula C12H14BrN5O2 and a molecular weight of 340.18 g/mol. Its IUPAC name is 4-bromo-5-methyl-N-[2-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-5-methyl-N-[2-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID136567281
Molecular FormulaC12H14BrN5O2
Molecular Weight340.18 g/mol
Exact Mass339.03
IUPAC Name4-bromo-5-methyl-N-[2-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2ccnn2C2CCOC2)c1Br
InChIInChI=1S/C12H14BrN5O2/c1-7-10(13)11(17-16-7)12(19)15-9-2-4-14-18(9)8-3-5-20-6-8/h2,4,8H,3,5-6H2,1H3,(H,15,19)(H,16,17)
InChIKeyPVYKMHRCLKHMSM-UHFFFAOYSA-N
XLogP1.89
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 99712004
(3R)-N-[2-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-N-[2-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-5-methyl-N-[2-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrazole-3-carboxamide (CID 136567281) is 4-bromo-5-methyl-N-[2-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-5-methyl-N-[2-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-5-methyl-N-[2-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2ccnn2C2CCOC2)c1Br.
What is the InChIKey of 4-bromo-5-methyl-N-[2-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is PVYKMHRCLKHMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O2/c1-7-10(13)11(17-16-7)12(19)15-9-2-4-14-18(9)8-3-5-20-6-8/h2,4,8H,3,5-6H2,1H3,(H,15,19)(H,16,17).
What are the key properties of 4-bromo-5-methyl-N-[2-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrazole-3-carboxamide?
4-bromo-5-methyl-N-[2-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 340.18 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methyl-N-[2-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 136567281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).