1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)benzene-6-id-1-yl]-3-methylpyrazole

C16H17N4- — CID 102401866

IUPAC1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)benzene-6-id-1-yl]-3-methylpyrazole
SMILESCc1ccn(-c2[c-]c(-n3ccc(C)n3)c(C)cc2C)n1
InChIInChI=1S/C16H17N4/c1-11-9-12(2)16(20-8-6-14(4)18-20)10-15(11)19-7-5-13(3)17-19/h5-9H,1-4H3/q-1
InChIKeyWDCOXVASKWBGBX-UHFFFAOYSA-N
MW265.34 g/mol
LogP3.09
Rot. Bonds2

About 1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)benzene-6-id-1-yl]-3-methylpyrazole

1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)benzene-6-id-1-yl]-3-methylpyrazole (PubChem CID 102401866) has the molecular formula C16H17N4- and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)benzene-6-id-1-yl]-3-methylpyrazole.

Molecular Properties

Compound Name1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)benzene-6-id-1-yl]-3-methylpyrazole
PubChem CID102401866
Molecular FormulaC16H17N4-
Molecular Weight265.34 g/mol
Exact Mass265.15
IUPAC Name1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)benzene-6-id-1-yl]-3-methylpyrazole
SMILESCc1ccn(-c2[c-]c(-n3ccc(C)n3)c(C)cc2C)n1
InChIInChI=1S/C16H17N4/c1-11-9-12(2)16(20-8-6-14(4)18-20)10-15(11)19-7-5-13(3)17-19/h5-9H,1-4H3/q-1
InChIKeyWDCOXVASKWBGBX-UHFFFAOYSA-N
XLogP3.09
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethylphenyl)-3-methylpyrazole
CID 90368021
3,5-dichloro-4-(3-methylpyrazol-1-yl)aniline
CID 106890917
4-methyl-3-(3-methylpyrazol-1-yl)aniline
CID 82405406
2,3,5-trichloro-6-(3-methylpyrazol-1-yl)pyridine
CID 102752171
1-(3-fluoronaphthalen-2-yl)-3-methylpyrazole
CID 141036229
ethane;3-methyl-1-(4-methylphenyl)pyrazole
CID 123320873
ethane;3-methyl-1-phenylpyrazole
CID 91357840
[3-methyl-2-(3-methylpyrazol-1-yl)phenyl]methanamine
CID 107105879
[4-(3-methylpyrazol-1-yl)phenyl]methanamine
CID 19627295
1-(3-bromobenzene-6-id-1-yl)-3-methylpyrazole;iridium
CID 155646446
1-[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]-N-methylmethanamine
CID 114854548
6-methyl-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
CID 82404538

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)benzene-6-id-1-yl]-3-methylpyrazole?
The IUPAC name of 1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)benzene-6-id-1-yl]-3-methylpyrazole (CID 102401866) is 1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)benzene-6-id-1-yl]-3-methylpyrazole.
What is the SMILES notation for 1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)benzene-6-id-1-yl]-3-methylpyrazole?
The canonical SMILES for 1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)benzene-6-id-1-yl]-3-methylpyrazole is Cc1ccn(-c2[c-]c(-n3ccc(C)n3)c(C)cc2C)n1.
What is the InChIKey of 1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)benzene-6-id-1-yl]-3-methylpyrazole?
The InChIKey is WDCOXVASKWBGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N4/c1-11-9-12(2)16(20-8-6-14(4)18-20)10-15(11)19-7-5-13(3)17-19/h5-9H,1-4H3/q-1.
What are the key properties of 1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)benzene-6-id-1-yl]-3-methylpyrazole?
1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)benzene-6-id-1-yl]-3-methylpyrazole has a molecular weight of 265.34 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)benzene-6-id-1-yl]-3-methylpyrazole is sourced from PubChem (CID 102401866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).