1-methylpyrazole-4-carbaldehyde;2,2,4,4-tetramethyl-1,3-dioxolane

C12H20N2O3 — CID 169138373

IUPAC1-methylpyrazole-4-carbaldehyde;2,2,4,4-tetramethyl-1,3-dioxolane
SMILESCC1(C)COC(C)(C)O1.Cn1cc(C=O)cn1
InChIInChI=1S/C7H14O2.C5H6N2O/c1-6(2)5-8-7(3,4)9-6;1-7-3-5(4-8)2-6-7/h5H2,1-4H3;2-4H,1H3
InChIKeyYOCXUOJNNUTULT-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.78
Rot. Bonds1

About 1-methylpyrazole-4-carbaldehyde;2,2,4,4-tetramethyl-1,3-dioxolane

1-methylpyrazole-4-carbaldehyde;2,2,4,4-tetramethyl-1,3-dioxolane (PubChem CID 169138373) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-methylpyrazole-4-carbaldehyde;2,2,4,4-tetramethyl-1,3-dioxolane.

Molecular Properties

Compound Name1-methylpyrazole-4-carbaldehyde;2,2,4,4-tetramethyl-1,3-dioxolane
PubChem CID169138373
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-methylpyrazole-4-carbaldehyde;2,2,4,4-tetramethyl-1,3-dioxolane
SMILESCC1(C)COC(C)(C)O1.Cn1cc(C=O)cn1
InChIInChI=1S/C7H14O2.C5H6N2O/c1-6(2)5-8-7(3,4)9-6;1-7-3-5(4-8)2-6-7/h5H2,1-4H3;2-4H,1H3
InChIKeyYOCXUOJNNUTULT-UHFFFAOYSA-N
XLogP1.78
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(2-methylprop-1-enyl)pyrazole
CID 155941655
(5E)-5-[(1-methylpyrazol-4-yl)methylidene]imidazolidine-2,4-dione
CID 17024892
(E)-1-(1-methylpyrazol-4-yl)-N-trimethylsilyloxymethanimine
CID 87078957
(1E,4E)-1,5-bis(1-methylpyrazol-4-yl)penta-1,4-dien-3-one
CID 122177397
4-[4-(1-methylpyrazol-4-yl)-N-[4-(1-methylpyrazol-4-yl)phenyl]anilino]benzaldehyde
CID 155899056
1-(1-methylpyrazol-4-yl)pyrrole-3-carbaldehyde
CID 122163574
[(E)-2-methyl-3-(1-methylpyrazol-4-yl)prop-2-enoyl] (E)-2-methyl-3-(1-methylpyrazol-4-yl)prop-2-enoate
CID 138634830
2-methyl-3-(1-methylpyrazol-4-yl)prop-2-en-1-amine
CID 79329731
(2E,5E)-2,5-bis[(1-methylpyrazol-4-yl)methylidene]cyclopentan-1-one
CID 6211073
(NZ)-N-[(1-methylpyrazol-4-yl)methylidene]hydroxylamine
CID 6161558
[(1-methylpyrazol-4-yl)methylideneamino] acetate
CID 91407565
2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde
CID 165142431

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrazole-4-carbaldehyde;2,2,4,4-tetramethyl-1,3-dioxolane?
The IUPAC name of 1-methylpyrazole-4-carbaldehyde;2,2,4,4-tetramethyl-1,3-dioxolane (CID 169138373) is 1-methylpyrazole-4-carbaldehyde;2,2,4,4-tetramethyl-1,3-dioxolane.
What is the SMILES notation for 1-methylpyrazole-4-carbaldehyde;2,2,4,4-tetramethyl-1,3-dioxolane?
The canonical SMILES for 1-methylpyrazole-4-carbaldehyde;2,2,4,4-tetramethyl-1,3-dioxolane is CC1(C)COC(C)(C)O1.Cn1cc(C=O)cn1.
What is the InChIKey of 1-methylpyrazole-4-carbaldehyde;2,2,4,4-tetramethyl-1,3-dioxolane?
The InChIKey is YOCXUOJNNUTULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2.C5H6N2O/c1-6(2)5-8-7(3,4)9-6;1-7-3-5(4-8)2-6-7/h5H2,1-4H3;2-4H,1H3.
What are the key properties of 1-methylpyrazole-4-carbaldehyde;2,2,4,4-tetramethyl-1,3-dioxolane?
1-methylpyrazole-4-carbaldehyde;2,2,4,4-tetramethyl-1,3-dioxolane has a molecular weight of 240.30 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrazole-4-carbaldehyde;2,2,4,4-tetramethyl-1,3-dioxolane is sourced from PubChem (CID 169138373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).