1H-pyrazole-5-carbaldehyde;pyridin-2-amine

C9H10N4O — CID 175088983

IUPAC1H-pyrazole-5-carbaldehyde;pyridin-2-amine
SMILESNc1ccccn1.O=Cc1ccn[nH]1
InChIInChI=1S/C5H6N2.C4H4N2O/c6-5-3-1-2-4-7-5;7-3-4-1-2-5-6-4/h1-4H,(H2,6,7);1-3H,(H,5,6)
InChIKeyJWGHPZMAJOOENV-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.89
Rot. Bonds1

About 1H-pyrazole-5-carbaldehyde;pyridin-2-amine

1H-pyrazole-5-carbaldehyde;pyridin-2-amine (PubChem CID 175088983) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 1H-pyrazole-5-carbaldehyde;pyridin-2-amine.

Molecular Properties

Compound Name1H-pyrazole-5-carbaldehyde;pyridin-2-amine
PubChem CID175088983
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name1H-pyrazole-5-carbaldehyde;pyridin-2-amine
SMILESNc1ccccn1.O=Cc1ccn[nH]1
InChIInChI=1S/C5H6N2.C4H4N2O/c6-5-3-1-2-4-7-5;7-3-4-1-2-5-6-4/h1-4H,(H2,6,7);1-3H,(H,5,6)
InChIKeyJWGHPZMAJOOENV-UHFFFAOYSA-N
XLogP0.89
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.89
H-Bond Donors ≤ 52
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 1H-pyrazole-5-carbaldehyde;pyridin-2-amine?
The IUPAC name of 1H-pyrazole-5-carbaldehyde;pyridin-2-amine (CID 175088983) is 1H-pyrazole-5-carbaldehyde;pyridin-2-amine.
What is the SMILES notation for 1H-pyrazole-5-carbaldehyde;pyridin-2-amine?
The canonical SMILES for 1H-pyrazole-5-carbaldehyde;pyridin-2-amine is Nc1ccccn1.O=Cc1ccn[nH]1.
What is the InChIKey of 1H-pyrazole-5-carbaldehyde;pyridin-2-amine?
The InChIKey is JWGHPZMAJOOENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.C4H4N2O/c6-5-3-1-2-4-7-5;7-3-4-1-2-5-6-4/h1-4H,(H2,6,7);1-3H,(H,5,6).
What are the key properties of 1H-pyrazole-5-carbaldehyde;pyridin-2-amine?
1H-pyrazole-5-carbaldehyde;pyridin-2-amine has a molecular weight of 190.21 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole-5-carbaldehyde;pyridin-2-amine is sourced from PubChem (CID 175088983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).