(4-chlorophenyl)-[5-[(6-methoxypyridazin-3-yl)methyl]-1,3-dimethylpyrrol-2-yl]methanone

C19H18ClN3O2 — CID 67753185

IUPAC(4-chlorophenyl)-[5-[(6-methoxypyridazin-3-yl)methyl]-1,3-dimethylpyrrol-2-yl]methanone
SMILESCOc1ccc(Cc2cc(C)c(C(=O)c3ccc(Cl)cc3)n2C)nn1
InChIInChI=1S/C19H18ClN3O2/c1-12-10-16(11-15-8-9-17(25-3)22-21-15)23(2)18(12)19(24)13-4-6-14(20)7-5-13/h4-10H,11H2,1-3H3
InChIKeyNXQYBQIGHYQYNC-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.61
Rot. Bonds5

About (4-chlorophenyl)-[5-[(6-methoxypyridazin-3-yl)methyl]-1,3-dimethylpyrrol-2-yl]methanone

(4-chlorophenyl)-[5-[(6-methoxypyridazin-3-yl)methyl]-1,3-dimethylpyrrol-2-yl]methanone (PubChem CID 67753185) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-[(6-methoxypyridazin-3-yl)methyl]-1,3-dimethylpyrrol-2-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-[(6-methoxypyridazin-3-yl)methyl]-1,3-dimethylpyrrol-2-yl]methanone
PubChem CID67753185
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name(4-chlorophenyl)-[5-[(6-methoxypyridazin-3-yl)methyl]-1,3-dimethylpyrrol-2-yl]methanone
SMILESCOc1ccc(Cc2cc(C)c(C(=O)c3ccc(Cl)cc3)n2C)nn1
InChIInChI=1S/C19H18ClN3O2/c1-12-10-16(11-15-8-9-17(25-3)22-21-15)23(2)18(12)19(24)13-4-6-14(20)7-5-13/h4-10H,11H2,1-3H3
InChIKeyNXQYBQIGHYQYNC-UHFFFAOYSA-N
XLogP3.61
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-piperidin-1-ylmethanone
CID 71698083
2-[5-(4-Chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-(2-methylpyrazol-3-yl)ethanone
CID 149014350
2-[5-(4-Chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-(1-methylpyrazol-3-yl)ethanone
CID 157672461
2-[5-(4-Chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-(2,5-dimethylpyrazol-3-yl)ethanone
CID 161126471
(2z)-3-(4-Chlorophenyl)-2-(3,5-dimethyl-1h-pyrazol-1-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 138392436
[5-[(5-Amino-3-chloro-2-pyridinyl)methyl]-1,3-dimethylpyrrol-2-yl]-(4-methoxyphenyl)methanone
CID 17882465
4-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methyl-4-oxobutanamide
CID 19898062
Methyl 2-[3-chloro-5-(4-methoxybenzoyl)-1-methylpyrrol-2-yl]acetate
CID 21411823
2-[4-Chloro-1-ethyl-5-(4-methoxybenzoyl)pyrrol-2-yl]acetonitrile
CID 21411857
2-[4-Chloro-5-(4-methoxybenzoyl)-1-propan-2-ylpyrrol-2-yl]acetonitrile
CID 21411970
1-[7-(Chloro)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]ethanone
CID 22350051
(4-Chlorophenyl)-[1,3-dimethyl-5-[(6-propan-2-yloxypyridazin-3-yl)methyl]pyrrol-2-yl]methanone
CID 22371975

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-[(6-methoxypyridazin-3-yl)methyl]-1,3-dimethylpyrrol-2-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[5-[(6-methoxypyridazin-3-yl)methyl]-1,3-dimethylpyrrol-2-yl]methanone (CID 67753185) is (4-chlorophenyl)-[5-[(6-methoxypyridazin-3-yl)methyl]-1,3-dimethylpyrrol-2-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[5-[(6-methoxypyridazin-3-yl)methyl]-1,3-dimethylpyrrol-2-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[5-[(6-methoxypyridazin-3-yl)methyl]-1,3-dimethylpyrrol-2-yl]methanone is COc1ccc(Cc2cc(C)c(C(=O)c3ccc(Cl)cc3)n2C)nn1.
What is the InChIKey of (4-chlorophenyl)-[5-[(6-methoxypyridazin-3-yl)methyl]-1,3-dimethylpyrrol-2-yl]methanone?
The InChIKey is NXQYBQIGHYQYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12-10-16(11-15-8-9-17(25-3)22-21-15)23(2)18(12)19(24)13-4-6-14(20)7-5-13/h4-10H,11H2,1-3H3.
What are the key properties of (4-chlorophenyl)-[5-[(6-methoxypyridazin-3-yl)methyl]-1,3-dimethylpyrrol-2-yl]methanone?
(4-chlorophenyl)-[5-[(6-methoxypyridazin-3-yl)methyl]-1,3-dimethylpyrrol-2-yl]methanone has a molecular weight of 355.83 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-[(6-methoxypyridazin-3-yl)methyl]-1,3-dimethylpyrrol-2-yl]methanone is sourced from PubChem (CID 67753185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).