(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone

C14H19BrN4O — CID 105130796

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)c2c(Br)cnn2C(C)C)n(CC)n1
InChIInChI=1S/C14H19BrN4O/c1-5-10-7-12(18(6-2)17-10)14(20)13-11(15)8-16-19(13)9(3)4/h7-9H,5-6H2,1-4H3
InChIKeyYPPWHIJRQLREGQ-UHFFFAOYSA-N
MW339.24 g/mol
LogP3.24
Rot. Bonds5

About (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone (PubChem CID 105130796) has the molecular formula C14H19BrN4O and a molecular weight of 339.24 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
PubChem CID105130796
Molecular FormulaC14H19BrN4O
Molecular Weight339.24 g/mol
Exact Mass338.07
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)c2c(Br)cnn2C(C)C)n(CC)n1
InChIInChI=1S/C14H19BrN4O/c1-5-10-7-12(18(6-2)17-10)14(20)13-11(15)8-16-19(13)9(3)4/h7-9H,5-6H2,1-4H3
InChIKeyYPPWHIJRQLREGQ-UHFFFAOYSA-N
XLogP3.24
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1,3-diethylpyrazol-5-yl)-(2-propan-2-ylpyrazol-3-yl)methanone
CID 114197956
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromophenyl)methanone
CID 107977405
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 105130314
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanone
CID 114639043
(4-bromo-1-methylpyrazol-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 105135353
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105130889
(1,3-diethylpyrazol-5-yl)-pyrimidin-5-ylmethanone
CID 105085413
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanone
CID 115805217
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4,5-dibromothiophen-2-yl)methanone
CID 115805300
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107967808
(1,3-diethylpyrazol-5-yl)-(4-propan-2-yloxyphenyl)methanone
CID 105097408
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine
CID 105336990

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone (CID 105130796) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone is CCc1cc(C(=O)c2c(Br)cnn2C(C)C)n(CC)n1.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone?
The InChIKey is YPPWHIJRQLREGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O/c1-5-10-7-12(18(6-2)17-10)14(20)13-11(15)8-16-19(13)9(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone has a molecular weight of 339.24 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone is sourced from PubChem (CID 105130796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).