4-chloro-5-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-2-phenylpyridazin-3-one

C21H18ClN5O2 — CID 133309689

IUPAC4-chloro-5-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-2-phenylpyridazin-3-one
SMILESCOc1ccc(-n2ccc(CNc3cnn(-c4ccccc4)c(=O)c3Cl)n2)cc1
InChIInChI=1S/C21H18ClN5O2/c1-29-18-9-7-16(8-10-18)26-12-11-15(25-26)13-23-19-14-24-27(21(28)20(19)22)17-5-3-2-4-6-17/h2-12,14,23H,13H2,1H3
InChIKeyWAWMCMMBKOMQBI-UHFFFAOYSA-N
MW407.86 g/mol
LogP3.69
Rot. Bonds6

About 4-chloro-5-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-2-phenylpyridazin-3-one

4-chloro-5-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-2-phenylpyridazin-3-one (PubChem CID 133309689) has the molecular formula C21H18ClN5O2 and a molecular weight of 407.86 g/mol. Its IUPAC name is 4-chloro-5-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-2-phenylpyridazin-3-one
PubChem CID133309689
Molecular FormulaC21H18ClN5O2
Molecular Weight407.86 g/mol
Exact Mass407.11
IUPAC Name4-chloro-5-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-2-phenylpyridazin-3-one
SMILESCOc1ccc(-n2ccc(CNc3cnn(-c4ccccc4)c(=O)c3Cl)n2)cc1
InChIInChI=1S/C21H18ClN5O2/c1-29-18-9-7-16(8-10-18)26-12-11-15(25-26)13-23-19-14-24-27(21(28)20(19)22)17-5-3-2-4-6-17/h2-12,14,23H,13H2,1H3
InChIKeyWAWMCMMBKOMQBI-UHFFFAOYSA-N
XLogP3.69
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-5-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 5231061
4-chloro-5-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 6382777
4-chloro-5-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 136787509
3-methoxy-N-[(1-phenylpyrazol-3-yl)methyl]aniline
CID 62886369
4-chloro-5-[(2Z)-2-[(4-ethylphenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 110512659
ethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate
CID 15152626
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylquinoxalin-2-amine
CID 133309651
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide
CID 8567196
4-chloro-2-phenyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyridazin-3-one
CID 8892435
5-chloro-4-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidine-4,6-diamine
CID 122138740
4-chloro-5-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 110512710
4-chloro-5-[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 45135345

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-2-phenylpyridazin-3-one (CID 133309689) is 4-chloro-5-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-2-phenylpyridazin-3-one is COc1ccc(-n2ccc(CNc3cnn(-c4ccccc4)c(=O)c3Cl)n2)cc1.
What is the InChIKey of 4-chloro-5-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-2-phenylpyridazin-3-one?
The InChIKey is WAWMCMMBKOMQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2/c1-29-18-9-7-16(8-10-18)26-12-11-15(25-26)13-23-19-14-24-27(21(28)20(19)22)17-5-3-2-4-6-17/h2-12,14,23H,13H2,1H3.
What are the key properties of 4-chloro-5-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-2-phenylpyridazin-3-one?
4-chloro-5-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-2-phenylpyridazin-3-one has a molecular weight of 407.86 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-2-phenylpyridazin-3-one is sourced from PubChem (CID 133309689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).