1-[2-[[4-(5-chloro-1,4-dimethylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methylphenyl]-1-(1-hydrazinylethenyl)hydrazine

C22H27ClN6O — CID 144820633

IUPAC1-[2-[[4-(5-chloro-1,4-dimethylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methylphenyl]-1-(1-hydrazinylethenyl)hydrazine
SMILESC=C(NN)N(N)c1cccc(C)c1COc1ccc(-c2nn(C)c(Cl)c2C)cc1C
InChIInChI=1S/C22H27ClN6O/c1-13-7-6-8-19(29(25)16(4)26-24)18(13)12-30-20-10-9-17(11-14(20)2)21-15(3)22(23)28(5)27-21/h6-11,26H,4,12,24-25H2,1-3,5H3
InChIKeyNXGDUVPSTZXSKP-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.86
Rot. Bonds7

About 1-[2-[[4-(5-chloro-1,4-dimethylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methylphenyl]-1-(1-hydrazinylethenyl)hydrazine

1-[2-[[4-(5-chloro-1,4-dimethylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methylphenyl]-1-(1-hydrazinylethenyl)hydrazine (PubChem CID 144820633) has the molecular formula C22H27ClN6O and a molecular weight of 426.95 g/mol. Its IUPAC name is 1-[2-[[4-(5-chloro-1,4-dimethylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methylphenyl]-1-(1-hydrazinylethenyl)hydrazine.

Molecular Properties

Compound Name1-[2-[[4-(5-chloro-1,4-dimethylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methylphenyl]-1-(1-hydrazinylethenyl)hydrazine
PubChem CID144820633
Molecular FormulaC22H27ClN6O
Molecular Weight426.95 g/mol
Exact Mass426.19
IUPAC Name1-[2-[[4-(5-chloro-1,4-dimethylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methylphenyl]-1-(1-hydrazinylethenyl)hydrazine
SMILESC=C(NN)N(N)c1cccc(C)c1COc1ccc(-c2nn(C)c(Cl)c2C)cc1C
InChIInChI=1S/C22H27ClN6O/c1-13-7-6-8-19(29(25)16(4)26-24)18(13)12-30-20-10-9-17(11-14(20)2)21-15(3)22(23)28(5)27-21/h6-11,26H,4,12,24-25H2,1-3,5H3
InChIKeyNXGDUVPSTZXSKP-UHFFFAOYSA-N
XLogP3.86
TPSA94.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[2-[[4-(5-chloro-1,4-dimethylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methylphenyl]-1-(1-hydrazinylethenyl)hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-diamino-1-[3-ethyl-2-[[2-methyl-4-(1,4,5-trimethylpyrazol-3-yl)phenoxy]methyl]phenyl]urea
CID 144820635
2-[[4-(5-chloro-1,4-dimethylpyrazol-3-yl)-2-methylphenoxy]methyl]-6-methylaniline
CID 122626576
[2-[[4-(5-chloro-1,4-dimethylpyrazol-3-yl)-2-methylphenoxy]methyl]-6-methylphenyl] N-methylcarbamate
CID 91809238
1-[3-bromo-2-[[4-(5-chloro-1,4-dimethylpyrazol-3-yl)-2-methylphenoxy]methyl]phenyl]-4-methyltetrazol-5-one
CID 118236373
1,3-diamino-1-[2-[[4-(4-bromo-5-methoxy-1-methylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methylphenyl]-3-methylurea
CID 129109978
1,3-diamino-1-[3-methoxy-2-[[2-methyl-4-(1,4,5-trimethylpyrazol-3-yl)phenoxy]methyl]phenyl]-3-methylurea
CID 129109733
methyl N-[2-[[4-(5-chloro-1,4-dimethylpyrazol-3-yl)-2-methylphenoxy]methyl]phenyl]carbamate
CID 129040521
1-[2-[[4-(5-chloro-1,4-dimethylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methylsulfinylphenyl]-4-methyltetrazol-5-one
CID 118290445
1-[2-[[4-(5-chloro-1,4-dimethylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-cyclopropylphenyl]-4-methyltetrazol-5-one
CID 118290438
1-[3-ethyl-2-[[2-methyl-4-(1,4,5-trimethylpyrazol-3-yl)phenoxy]methyl]phenyl]-1-methylhydrazine
CID 129109901
5-chloro-3-[4-[(3-ethyl-2-nitrophenyl)methoxy]-3-methylphenyl]-1,4-dimethylpyrazole
CID 129040541
1-[2-[[4-(4-chloro-5-methoxy-1-methylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-methylhydrazine
CID 129109961

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(5-chloro-1,4-dimethylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methylphenyl]-1-(1-hydrazinylethenyl)hydrazine?
The IUPAC name of 1-[2-[[4-(5-chloro-1,4-dimethylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methylphenyl]-1-(1-hydrazinylethenyl)hydrazine (CID 144820633) is 1-[2-[[4-(5-chloro-1,4-dimethylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methylphenyl]-1-(1-hydrazinylethenyl)hydrazine.
What is the SMILES notation for 1-[2-[[4-(5-chloro-1,4-dimethylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methylphenyl]-1-(1-hydrazinylethenyl)hydrazine?
The canonical SMILES for 1-[2-[[4-(5-chloro-1,4-dimethylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methylphenyl]-1-(1-hydrazinylethenyl)hydrazine is C=C(NN)N(N)c1cccc(C)c1COc1ccc(-c2nn(C)c(Cl)c2C)cc1C.
What is the InChIKey of 1-[2-[[4-(5-chloro-1,4-dimethylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methylphenyl]-1-(1-hydrazinylethenyl)hydrazine?
The InChIKey is NXGDUVPSTZXSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN6O/c1-13-7-6-8-19(29(25)16(4)26-24)18(13)12-30-20-10-9-17(11-14(20)2)21-15(3)22(23)28(5)27-21/h6-11,26H,4,12,24-25H2,1-3,5H3.
What are the key properties of 1-[2-[[4-(5-chloro-1,4-dimethylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methylphenyl]-1-(1-hydrazinylethenyl)hydrazine?
1-[2-[[4-(5-chloro-1,4-dimethylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methylphenyl]-1-(1-hydrazinylethenyl)hydrazine has a molecular weight of 426.95 g/mol, XLogP of 3.86, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(5-chloro-1,4-dimethylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methylphenyl]-1-(1-hydrazinylethenyl)hydrazine is sourced from PubChem (CID 144820633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).