5-methyl-1-[(5-methylpyrazol-1-yl)methyl]pyrazole

C9H12N4 — CID 10103693

IUPAC5-methyl-1-[(5-methylpyrazol-1-yl)methyl]pyrazole
SMILESCc1ccnn1Cn1nccc1C
InChIInChI=1S/C9H12N4/c1-8-3-5-10-12(8)7-13-9(2)4-6-11-13/h3-6H,7H2,1-2H3
InChIKeyUHLDENHAUDRRCU-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.20
Rot. Bonds2

About 5-methyl-1-[(5-methylpyrazol-1-yl)methyl]pyrazole

5-methyl-1-[(5-methylpyrazol-1-yl)methyl]pyrazole (PubChem CID 10103693) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-methyl-1-[(5-methylpyrazol-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name5-methyl-1-[(5-methylpyrazol-1-yl)methyl]pyrazole
PubChem CID10103693
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name5-methyl-1-[(5-methylpyrazol-1-yl)methyl]pyrazole
SMILESCc1ccnn1Cn1nccc1C
InChIInChI=1S/C9H12N4/c1-8-3-5-10-12(8)7-13-9(2)4-6-11-13/h3-6H,7H2,1-2H3
InChIKeyUHLDENHAUDRRCU-UHFFFAOYSA-N
XLogP1.20
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Pyrazole, 1,3-dimethyl-
CID 79096
1,5-Dimethylpyrazole
CID 136502
1H-Pyrazole-1-carboxamide, N,N'-1,4-butanediylbis(3(or 5)-methyl-
CID 3073192
1H-Pyrazole, 1,1'-ethylidenebis[3,5-dimethyl-
CID 644841
1-Ethenyl-5-methyl-1h-pyrazole
CID 186634
1H-Pyrazole, 1-ethenyl-3-methyl-
CID 3016825
1H-Pyrazole, 1,1'-methylenebis[3,5-dimethyl-
CID 5245492
1,1'-propane-2,2-diylbis(1H-pyrazole)
CID 10921041
1,1'-Methylenebis(3-methyl-1H-pyrazole)
CID 15210309
1,3-bis[(3-methyl-1H-pyrazol-1-yl)methyl]imidazolidine-2-thione
CID 2245195
Bis(pyrazole-1-yl)ethane
CID 5245495
1-ethyl-3-methyl-1H-pyrazole
CID 12002774

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(5-methylpyrazol-1-yl)methyl]pyrazole?
The IUPAC name of 5-methyl-1-[(5-methylpyrazol-1-yl)methyl]pyrazole (CID 10103693) is 5-methyl-1-[(5-methylpyrazol-1-yl)methyl]pyrazole.
What is the SMILES notation for 5-methyl-1-[(5-methylpyrazol-1-yl)methyl]pyrazole?
The canonical SMILES for 5-methyl-1-[(5-methylpyrazol-1-yl)methyl]pyrazole is Cc1ccnn1Cn1nccc1C.
What is the InChIKey of 5-methyl-1-[(5-methylpyrazol-1-yl)methyl]pyrazole?
The InChIKey is UHLDENHAUDRRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-8-3-5-10-12(8)7-13-9(2)4-6-11-13/h3-6H,7H2,1-2H3.
What are the key properties of 5-methyl-1-[(5-methylpyrazol-1-yl)methyl]pyrazole?
5-methyl-1-[(5-methylpyrazol-1-yl)methyl]pyrazole has a molecular weight of 176.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(5-methylpyrazol-1-yl)methyl]pyrazole is sourced from PubChem (CID 10103693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).