1-[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]-1-iodohydrazine;ethane

C14H21IN4 — CID 153376836

IUPAC1-[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]-1-iodohydrazine;ethane
SMILESCC.Cc1cc(-c2cnn(C)c2)cc(C)c1N(N)I
InChIInChI=1S/C12H15IN4.C2H6/c1-8-4-10(11-6-15-16(3)7-11)5-9(2)12(8)17(13)14;1-2/h4-7H,14H2,1-3H3;1-2H3
InChIKeyCHCUSYMKUXAEQB-UHFFFAOYSA-N
MW372.25 g/mol
LogP3.76
Rot. Bonds2

About 1-[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]-1-iodohydrazine;ethane

1-[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]-1-iodohydrazine;ethane (PubChem CID 153376836) has the molecular formula C14H21IN4 and a molecular weight of 372.25 g/mol. Its IUPAC name is 1-[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]-1-iodohydrazine;ethane.

Molecular Properties

Compound Name1-[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]-1-iodohydrazine;ethane
PubChem CID153376836
Molecular FormulaC14H21IN4
Molecular Weight372.25 g/mol
Exact Mass372.08
IUPAC Name1-[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]-1-iodohydrazine;ethane
SMILESCC.Cc1cc(-c2cnn(C)c2)cc(C)c1N(N)I
InChIInChI=1S/C12H15IN4.C2H6/c1-8-4-10(11-6-15-16(3)7-11)5-9(2)12(8)17(13)14;1-2/h4-7H,14H2,1-3H3;1-2H3
InChIKeyCHCUSYMKUXAEQB-UHFFFAOYSA-N
XLogP3.76
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-5-(1-methylpyrazol-4-yl)aniline
CID 165495050
N-methyl-N-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]sulfanylmethanamine
CID 139398546
[4-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 105408567
2,5-dimethyl-3-(1-methylpyrazol-4-yl)aniline
CID 165494673
tert-butyl 4-[4-amino-5-methyl-2-(1-methylpyrazol-4-yl)phenyl]piperazine-1-carboxylate
CID 165124623
4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
CID 118693272
[3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 61033657
N,N,3-trimethyl-5-(1-methylpyrazol-4-yl)benzenesulfinamide
CID 145105927
[6-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]methanamine
CID 65197998
3-(difluoromethyl)-5-(1-methylpyrazol-4-yl)aniline
CID 171394100
4-(3,5-dinitrophenyl)-1-methylpyrazole
CID 121277839
3-fluoro-5-(1-methylpyrazol-4-yl)phenol
CID 83130417

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]-1-iodohydrazine;ethane?
The IUPAC name of 1-[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]-1-iodohydrazine;ethane (CID 153376836) is 1-[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]-1-iodohydrazine;ethane.
What is the SMILES notation for 1-[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]-1-iodohydrazine;ethane?
The canonical SMILES for 1-[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]-1-iodohydrazine;ethane is CC.Cc1cc(-c2cnn(C)c2)cc(C)c1N(N)I.
What is the InChIKey of 1-[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]-1-iodohydrazine;ethane?
The InChIKey is CHCUSYMKUXAEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN4.C2H6/c1-8-4-10(11-6-15-16(3)7-11)5-9(2)12(8)17(13)14;1-2/h4-7H,14H2,1-3H3;1-2H3.
What are the key properties of 1-[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]-1-iodohydrazine;ethane?
1-[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]-1-iodohydrazine;ethane has a molecular weight of 372.25 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]-1-iodohydrazine;ethane is sourced from PubChem (CID 153376836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).