(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone

C14H17BrN4O — CID 105130889

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C14H17BrN4O/c1-5-12-10(6-9(4)17-18-12)14(20)13-11(15)7-16-19(13)8(2)3/h6-8H,5H2,1-4H3
InChIKeyKEWMKSTYFWLJGJ-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.12
Rot. Bonds4

About (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone (PubChem CID 105130889) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
PubChem CID105130889
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C14H17BrN4O/c1-5-12-10(6-9(4)17-18-12)14(20)13-11(15)7-16-19(13)8(2)3/h6-8H,5H2,1-4H3
InChIKeyKEWMKSTYFWLJGJ-UHFFFAOYSA-N
XLogP3.12
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 105130816
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromophenyl)methanone
CID 107977405
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanone
CID 114639043
(4-bromo-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone
CID 114639812
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 105130796
(3-ethyl-6-methylpyridazin-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 105132806
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107967808
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanone
CID 115805217
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2,5-difluorophenyl)methanone
CID 115805489
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4,5-dibromothiophen-2-yl)methanone
CID 115805300
(2,3-dimethylimidazol-4-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 114283513
(4-tert-butylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105093728

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone (CID 105130889) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone is CCc1nnc(C)cc1C(=O)c1c(Br)cnn1C(C)C.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The InChIKey is KEWMKSTYFWLJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-5-12-10(6-9(4)17-18-12)14(20)13-11(15)7-16-19(13)8(2)3/h6-8H,5H2,1-4H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone has a molecular weight of 337.22 g/mol, XLogP of 3.12, 4 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)-(3-ethyl-6-methylpyridazin-4-yl)methanone is sourced from PubChem (CID 105130889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).