1-methyl-1-[3-methyl-2-[[1-(2-propan-2-yloxyphenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine

C21H26N4O2 — CID 155217765

IUPAC1-methyl-1-[3-methyl-2-[[1-(2-propan-2-yloxyphenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine
SMILESCc1cccc(N(C)N)c1COc1ccn(-c2ccccc2OC(C)C)n1
InChIInChI=1S/C21H26N4O2/c1-15(2)27-20-11-6-5-9-19(20)25-13-12-21(23-25)26-14-17-16(3)8-7-10-18(17)24(4)22/h5-13,15H,14,22H2,1-4H3
InChIKeyFEJQIQHBGLSKMJ-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.86
Rot. Bonds7

About 1-methyl-1-[3-methyl-2-[[1-(2-propan-2-yloxyphenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine

1-methyl-1-[3-methyl-2-[[1-(2-propan-2-yloxyphenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine (PubChem CID 155217765) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-methyl-1-[3-methyl-2-[[1-(2-propan-2-yloxyphenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine.

Molecular Properties

Compound Name1-methyl-1-[3-methyl-2-[[1-(2-propan-2-yloxyphenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine
PubChem CID155217765
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-methyl-1-[3-methyl-2-[[1-(2-propan-2-yloxyphenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine
SMILESCc1cccc(N(C)N)c1COc1ccn(-c2ccccc2OC(C)C)n1
InChIInChI=1S/C21H26N4O2/c1-15(2)27-20-11-6-5-9-19(20)25-13-12-21(23-25)26-14-17-16(3)8-7-10-18(17)24(4)22/h5-13,15H,14,22H2,1-4H3
InChIKeyFEJQIQHBGLSKMJ-UHFFFAOYSA-N
XLogP3.86
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methyl-1-[3-methyl-2-[[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine
CID 155217757
1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine
CID 155217844
1-methyl-1-[3-methyl-2-[[1-(1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine
CID 138495663
1,3-diamino-1-[3-methyl-2-[(1-thiophen-3-ylpyrazol-3-yl)oxymethyl]phenyl]urea
CID 144783523
1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-ethenylphenyl]-1-methylhydrazine
CID 155217759
1-[2-[[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine
CID 146632622
1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-cyclopropylphenyl]-1-methylhydrazine
CID 134293404
1-methyl-1-[3-methyl-2-[[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]oxymethyl]phenyl]hydrazine
CID 146633077
1-methyl-4-[3-methyl-2-[[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]oxymethyl]phenyl]tetrazol-5-one
CID 142723539
1-[2-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]-3-methylphenyl]-1-methylhydrazine
CID 155236368
1-methyl-1-[3-methyl-2-[(6-thiophen-3-yl-2-pyridinyl)oxymethyl]phenyl]hydrazine
CID 144739143
3-[(2-ethyl-6-propan-2-yloxyphenyl)methoxy]-1-sulfanylpyrazole
CID 155217964

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[3-methyl-2-[[1-(2-propan-2-yloxyphenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine?
The IUPAC name of 1-methyl-1-[3-methyl-2-[[1-(2-propan-2-yloxyphenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine (CID 155217765) is 1-methyl-1-[3-methyl-2-[[1-(2-propan-2-yloxyphenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine.
What is the SMILES notation for 1-methyl-1-[3-methyl-2-[[1-(2-propan-2-yloxyphenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine?
The canonical SMILES for 1-methyl-1-[3-methyl-2-[[1-(2-propan-2-yloxyphenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine is Cc1cccc(N(C)N)c1COc1ccn(-c2ccccc2OC(C)C)n1.
What is the InChIKey of 1-methyl-1-[3-methyl-2-[[1-(2-propan-2-yloxyphenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine?
The InChIKey is FEJQIQHBGLSKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15(2)27-20-11-6-5-9-19(20)25-13-12-21(23-25)26-14-17-16(3)8-7-10-18(17)24(4)22/h5-13,15H,14,22H2,1-4H3.
What are the key properties of 1-methyl-1-[3-methyl-2-[[1-(2-propan-2-yloxyphenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine?
1-methyl-1-[3-methyl-2-[[1-(2-propan-2-yloxyphenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine has a molecular weight of 366.47 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[3-methyl-2-[[1-(2-propan-2-yloxyphenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine is sourced from PubChem (CID 155217765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).