1-[3-(cyclopropyloxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carbaldehyde

C14H15N3O2 — CID 58268611

IUPAC1-[3-(cyclopropyloxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carbaldehyde
SMILESCc1nn(-c2ncccc2COC2CC2)cc1C=O
InChIInChI=1S/C14H15N3O2/c1-10-12(8-18)7-17(16-10)14-11(3-2-6-15-14)9-19-13-4-5-13/h2-3,6-8,13H,4-5,9H2,1H3
InChIKeyJINPTUNLYXUMPY-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.07
Rot. Bonds5

About 1-[3-(cyclopropyloxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carbaldehyde

1-[3-(cyclopropyloxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carbaldehyde (PubChem CID 58268611) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[3-(cyclopropyloxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-[3-(cyclopropyloxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carbaldehyde
PubChem CID58268611
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-[3-(cyclopropyloxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carbaldehyde
SMILESCc1nn(-c2ncccc2COC2CC2)cc1C=O
InChIInChI=1S/C14H15N3O2/c1-10-12(8-18)7-17(16-10)14-11(3-2-6-15-14)9-19-13-4-5-13/h2-3,6-8,13H,4-5,9H2,1H3
InChIKeyJINPTUNLYXUMPY-UHFFFAOYSA-N
XLogP2.07
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropyloxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carbaldehyde?
The IUPAC name of 1-[3-(cyclopropyloxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carbaldehyde (CID 58268611) is 1-[3-(cyclopropyloxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-[3-(cyclopropyloxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-[3-(cyclopropyloxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carbaldehyde is Cc1nn(-c2ncccc2COC2CC2)cc1C=O.
What is the InChIKey of 1-[3-(cyclopropyloxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carbaldehyde?
The InChIKey is JINPTUNLYXUMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-12(8-18)7-17(16-10)14-11(3-2-6-15-14)9-19-13-4-5-13/h2-3,6-8,13H,4-5,9H2,1H3.
What are the key properties of 1-[3-(cyclopropyloxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carbaldehyde?
1-[3-(cyclopropyloxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carbaldehyde has a molecular weight of 257.29 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropyloxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carbaldehyde is sourced from PubChem (CID 58268611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).