3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carbaldehyde

C10H13N5O — CID 107045387

IUPAC3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carbaldehyde
SMILESCc1nn(Cc2cn(C)nn2)c(C)c1C=O
InChIInChI=1S/C10H13N5O/c1-7-10(6-16)8(2)15(12-7)5-9-4-14(3)13-11-9/h4,6H,5H2,1-3H3
InChIKeyUSCAYZJYMFPUFF-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.49
Rot. Bonds3

About 3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carbaldehyde

3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carbaldehyde (PubChem CID 107045387) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carbaldehyde
PubChem CID107045387
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carbaldehyde
SMILESCc1nn(Cc2cn(C)nn2)c(C)c1C=O
InChIInChI=1S/C10H13N5O/c1-7-10(6-16)8(2)15(12-7)5-9-4-14(3)13-11-9/h4,6H,5H2,1-3H3
InChIKeyUSCAYZJYMFPUFF-UHFFFAOYSA-N
XLogP0.49
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-sulfonyl chloride
CID 107051964
3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-amine
CID 107042795
3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazole-4-carbaldehyde
CID 64785210
3,5-dimethyl-1-propylpyrazole-4-carbaldehyde
CID 6486756
N-[1-[3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 107053678
5-methyl-1-[(1-methyltriazol-4-yl)methyl]tetrazole
CID 130616524
3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazole-4-carbaldehyde
CID 60915802
1-[2-(diethylamino)ethyl]-3,5-dimethylpyrazole-4-carbaldehyde
CID 43647248
1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpyrazole-4-carbaldehyde
CID 82920650
1-(3-ethoxypropyl)-3,5-dimethylpyrazole-4-carbaldehyde
CID 65180938
4-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyltriazole
CID 104952375
N-[[5-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 107054650

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carbaldehyde?
The IUPAC name of 3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carbaldehyde (CID 107045387) is 3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carbaldehyde.
What is the SMILES notation for 3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carbaldehyde?
The canonical SMILES for 3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carbaldehyde is Cc1nn(Cc2cn(C)nn2)c(C)c1C=O.
What is the InChIKey of 3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carbaldehyde?
The InChIKey is USCAYZJYMFPUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-7-10(6-16)8(2)15(12-7)5-9-4-14(3)13-11-9/h4,6H,5H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carbaldehyde?
3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carbaldehyde has a molecular weight of 219.25 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carbaldehyde is sourced from PubChem (CID 107045387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).