(4-bromo-1-methylpyrazol-3-yl)-(4-chloro-3,5-dimethylpyrazol-1-yl)methanone

C10H10BrClN4O — CID 798383

IUPAC(4-bromo-1-methylpyrazol-3-yl)-(4-chloro-3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1nn(C(=O)c2nn(C)cc2Br)c(C)c1Cl
InChIInChI=1S/C10H10BrClN4O/c1-5-8(12)6(2)16(13-5)10(17)9-7(11)4-15(3)14-9/h4H,1-3H3
InChIKeyLRULOKUXYNHOPH-UHFFFAOYSA-N
MW317.57 g/mol
LogP2.34
Rot. Bonds1

About (4-bromo-1-methylpyrazol-3-yl)-(4-chloro-3,5-dimethylpyrazol-1-yl)methanone

(4-bromo-1-methylpyrazol-3-yl)-(4-chloro-3,5-dimethylpyrazol-1-yl)methanone (PubChem CID 798383) has the molecular formula C10H10BrClN4O and a molecular weight of 317.57 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-3-yl)-(4-chloro-3,5-dimethylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-3-yl)-(4-chloro-3,5-dimethylpyrazol-1-yl)methanone
PubChem CID798383
Molecular FormulaC10H10BrClN4O
Molecular Weight317.57 g/mol
Exact Mass315.97
IUPAC Name(4-bromo-1-methylpyrazol-3-yl)-(4-chloro-3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1nn(C(=O)c2nn(C)cc2Br)c(C)c1Cl
InChIInChI=1S/C10H10BrClN4O/c1-5-8(12)6(2)16(13-5)10(17)9-7(11)4-15(3)14-9/h4H,1-3H3
InChIKeyLRULOKUXYNHOPH-UHFFFAOYSA-N
XLogP2.34
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.57
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-3-yl)-(4-chloro-3,5-dimethylpyrazol-1-yl)methanone?
The IUPAC name of (4-bromo-1-methylpyrazol-3-yl)-(4-chloro-3,5-dimethylpyrazol-1-yl)methanone (CID 798383) is (4-bromo-1-methylpyrazol-3-yl)-(4-chloro-3,5-dimethylpyrazol-1-yl)methanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-3-yl)-(4-chloro-3,5-dimethylpyrazol-1-yl)methanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-3-yl)-(4-chloro-3,5-dimethylpyrazol-1-yl)methanone is Cc1nn(C(=O)c2nn(C)cc2Br)c(C)c1Cl.
What is the InChIKey of (4-bromo-1-methylpyrazol-3-yl)-(4-chloro-3,5-dimethylpyrazol-1-yl)methanone?
The InChIKey is LRULOKUXYNHOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN4O/c1-5-8(12)6(2)16(13-5)10(17)9-7(11)4-15(3)14-9/h4H,1-3H3.
What are the key properties of (4-bromo-1-methylpyrazol-3-yl)-(4-chloro-3,5-dimethylpyrazol-1-yl)methanone?
(4-bromo-1-methylpyrazol-3-yl)-(4-chloro-3,5-dimethylpyrazol-1-yl)methanone has a molecular weight of 317.57 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-3-yl)-(4-chloro-3,5-dimethylpyrazol-1-yl)methanone is sourced from PubChem (CID 798383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).