5-(methylamino)-1-propan-2-ylpyrazole-4-carbaldehyde;molecular hydrogen

C8H15N3O — CID 142866678

IUPAC5-(methylamino)-1-propan-2-ylpyrazole-4-carbaldehyde;molecular hydrogen
SMILESCNc1c(C=O)cnn1C(C)C.[H][H]
InChIInChI=1S/C8H13N3O.H2/c1-6(2)11-8(9-3)7(5-12)4-10-11;/h4-6,9H,1-3H3;1H
InChIKeyJQLCBNDNZSZHPO-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.56
Rot. Bonds3

About 5-(methylamino)-1-propan-2-ylpyrazole-4-carbaldehyde;molecular hydrogen

5-(methylamino)-1-propan-2-ylpyrazole-4-carbaldehyde;molecular hydrogen (PubChem CID 142866678) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 5-(methylamino)-1-propan-2-ylpyrazole-4-carbaldehyde;molecular hydrogen.

Molecular Properties

Compound Name5-(methylamino)-1-propan-2-ylpyrazole-4-carbaldehyde;molecular hydrogen
PubChem CID142866678
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name5-(methylamino)-1-propan-2-ylpyrazole-4-carbaldehyde;molecular hydrogen
SMILESCNc1c(C=O)cnn1C(C)C.[H][H]
InChIInChI=1S/C8H13N3O.H2/c1-6(2)11-8(9-3)7(5-12)4-10-11;/h4-6,9H,1-3H3;1H
InChIKeyJQLCBNDNZSZHPO-UHFFFAOYSA-N
XLogP1.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-1-propan-2-ylpyrazole-4-carbaldehyde;molecular hydrogen?
The IUPAC name of 5-(methylamino)-1-propan-2-ylpyrazole-4-carbaldehyde;molecular hydrogen (CID 142866678) is 5-(methylamino)-1-propan-2-ylpyrazole-4-carbaldehyde;molecular hydrogen.
What is the SMILES notation for 5-(methylamino)-1-propan-2-ylpyrazole-4-carbaldehyde;molecular hydrogen?
The canonical SMILES for 5-(methylamino)-1-propan-2-ylpyrazole-4-carbaldehyde;molecular hydrogen is CNc1c(C=O)cnn1C(C)C.[H][H].
What is the InChIKey of 5-(methylamino)-1-propan-2-ylpyrazole-4-carbaldehyde;molecular hydrogen?
The InChIKey is JQLCBNDNZSZHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.H2/c1-6(2)11-8(9-3)7(5-12)4-10-11;/h4-6,9H,1-3H3;1H.
What are the key properties of 5-(methylamino)-1-propan-2-ylpyrazole-4-carbaldehyde;molecular hydrogen?
5-(methylamino)-1-propan-2-ylpyrazole-4-carbaldehyde;molecular hydrogen has a molecular weight of 169.23 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-1-propan-2-ylpyrazole-4-carbaldehyde;molecular hydrogen is sourced from PubChem (CID 142866678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).