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

C12H15BrN4O — CID 102802906

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanone
SMILESCCCn1ncc(Br)c1C(=O)c1cn(C)nc1C
InChIInChI=1S/C12H15BrN4O/c1-4-5-17-11(10(13)6-14-17)12(18)9-7-16(3)15-8(9)2/h6-7H,4-5H2,1-3H3
InChIKeyYHCKHCBXVGBTNE-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.33
Rot. Bonds4

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

(4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanone (PubChem CID 102802906) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanone
PubChem CID102802906
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanone
SMILESCCCn1ncc(Br)c1C(=O)c1cn(C)nc1C
InChIInChI=1S/C12H15BrN4O/c1-4-5-17-11(10(13)6-14-17)12(18)9-7-16(3)15-8(9)2/h6-7H,4-5H2,1-3H3
InChIKeyYHCKHCBXVGBTNE-UHFFFAOYSA-N
XLogP2.33
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-1-propylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanone
CID 114639719
(4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone
CID 114639691
(4-bromo-1-propylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone
CID 114642221
(4-bromo-1-propylpyrazol-5-yl)-(2,6-dimethylphenyl)methanone
CID 114026886
(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methanone
CID 105130493
(4-bromo-2-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 115804548
(4-bromo-1-propylpyrazol-5-yl)-(2,4-dichlorophenyl)methanone
CID 115804491
(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114894379
(4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone
CID 114642301
(4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103125364
1-(4-bromo-1-propylpyrazol-5-yl)-2-(ethylamino)ethanone
CID 114668844
(4-bromo-1-propylpyrazol-5-yl)-(4-tert-butylphenyl)methanone
CID 115804503

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanone?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanone (CID 102802906) is (4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanone is CCCn1ncc(Br)c1C(=O)c1cn(C)nc1C.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanone?
The InChIKey is YHCKHCBXVGBTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c1-4-5-17-11(10(13)6-14-17)12(18)9-7-16(3)15-8(9)2/h6-7H,4-5H2,1-3H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanone?
(4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanone has a molecular weight of 311.18 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 102802906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).