1-[2-[[4-(4-chloro-5-methoxy-1-methylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-methylhydrazine

C21H25ClN4O3 — CID 129109961

IUPAC1-[2-[[4-(4-chloro-5-methoxy-1-methylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-methylhydrazine
SMILESCOc1cccc(N(C)N)c1COc1ccc(-c2nn(C)c(OC)c2Cl)cc1C
InChIInChI=1S/C21H25ClN4O3/c1-13-11-14(20-19(22)21(28-5)26(3)24-20)9-10-17(13)29-12-15-16(25(2)23)7-6-8-18(15)27-4/h6-11H,12,23H2,1-5H3
InChIKeyWOYWNVPCBXSPDB-UHFFFAOYSA-N
MW416.91 g/mol
LogP3.96
Rot. Bonds7

About 1-[2-[[4-(4-chloro-5-methoxy-1-methylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-methylhydrazine

1-[2-[[4-(4-chloro-5-methoxy-1-methylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-methylhydrazine (PubChem CID 129109961) has the molecular formula C21H25ClN4O3 and a molecular weight of 416.91 g/mol. Its IUPAC name is 1-[2-[[4-(4-chloro-5-methoxy-1-methylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[2-[[4-(4-chloro-5-methoxy-1-methylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-methylhydrazine
PubChem CID129109961
Molecular FormulaC21H25ClN4O3
Molecular Weight416.91 g/mol
Exact Mass416.16
IUPAC Name1-[2-[[4-(4-chloro-5-methoxy-1-methylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-methylhydrazine
SMILESCOc1cccc(N(C)N)c1COc1ccc(-c2nn(C)c(OC)c2Cl)cc1C
InChIInChI=1S/C21H25ClN4O3/c1-13-11-14(20-19(22)21(28-5)26(3)24-20)9-10-17(13)29-12-15-16(25(2)23)7-6-8-18(15)27-4/h6-11H,12,23H2,1-5H3
InChIKeyWOYWNVPCBXSPDB-UHFFFAOYSA-N
XLogP3.96
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-diamino-1-[3-methoxy-2-[[2-methyl-4-(1,4,5-trimethylpyrazol-3-yl)phenoxy]methyl]phenyl]-3-methylurea
CID 129109733
1-[3-ethyl-2-[[2-methyl-4-(1,4,5-trimethylpyrazol-3-yl)phenoxy]methyl]phenyl]-1-methylhydrazine
CID 129109901
1,3-diamino-1-[2-[[4-(4-bromo-5-methoxy-1-methylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methylphenyl]-3-methylurea
CID 129109978
1-[4-[[2-[amino(methyl)amino]-6-methoxyphenyl]methoxy]-3-methylphenyl]ethanone
CID 129110007
1-[2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-phosphorosohydrazine
CID 144784943
1-[2-[[4-(5-chloro-1,4-dimethylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methylphenyl]-1-(1-hydrazinylethenyl)hydrazine
CID 144820633
formohydrazide;1-[3-methoxy-2-[(2-methyl-4-prop-1-en-2-ylphenoxy)methyl]phenyl]-1-methylhydrazine
CID 144784769
1-[3-ethyl-2-[[4-(5-methoxy-1,4-dimethylpyrazol-3-yl)-2-methylphenoxy]methyl]phenyl]-4-methyltetrazol-5-one
CID 118236371
1,3-diamino-1-[3-methoxy-2-[[2-methyl-4-(1H-pyrazol-5-yl)phenoxy]methyl]phenyl]-3-methylurea
CID 129109994
1-[3-chloro-2-[[4-(5-ethoxy-1,4-dimethylpyrazol-3-yl)-2-methylphenoxy]methyl]phenyl]-4-methyltetrazol-5-one
CID 118236540
1,3-diamino-1-[3-methoxy-2-[[2-methyl-4-[2-(2-methylpropyl)pyrazol-3-yl]phenoxy]methyl]phenyl]-3-methylurea
CID 144597778
1,3-diamino-1-[3-ethyl-2-[[2-methyl-4-(1,4,5-trimethylpyrazol-3-yl)phenoxy]methyl]phenyl]urea
CID 144820635

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(4-chloro-5-methoxy-1-methylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-methylhydrazine?
The IUPAC name of 1-[2-[[4-(4-chloro-5-methoxy-1-methylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-methylhydrazine (CID 129109961) is 1-[2-[[4-(4-chloro-5-methoxy-1-methylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-methylhydrazine.
What is the SMILES notation for 1-[2-[[4-(4-chloro-5-methoxy-1-methylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-methylhydrazine?
The canonical SMILES for 1-[2-[[4-(4-chloro-5-methoxy-1-methylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-methylhydrazine is COc1cccc(N(C)N)c1COc1ccc(-c2nn(C)c(OC)c2Cl)cc1C.
What is the InChIKey of 1-[2-[[4-(4-chloro-5-methoxy-1-methylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-methylhydrazine?
The InChIKey is WOYWNVPCBXSPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O3/c1-13-11-14(20-19(22)21(28-5)26(3)24-20)9-10-17(13)29-12-15-16(25(2)23)7-6-8-18(15)27-4/h6-11H,12,23H2,1-5H3.
What are the key properties of 1-[2-[[4-(4-chloro-5-methoxy-1-methylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-methylhydrazine?
1-[2-[[4-(4-chloro-5-methoxy-1-methylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-methylhydrazine has a molecular weight of 416.91 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(4-chloro-5-methoxy-1-methylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-methylhydrazine is sourced from PubChem (CID 129109961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).