4-amino-1-methyl-3-propylpyrazole-5-carbaldehyde

C8H13N3O — CID 175381778

IUPAC4-amino-1-methyl-3-propylpyrazole-5-carbaldehyde
SMILESCCCc1nn(C)c(C=O)c1N
InChIInChI=1S/C8H13N3O/c1-3-4-6-8(9)7(5-12)11(2)10-6/h5H,3-4,9H2,1-2H3
InChIKeyNRCVIVFBYFNSFA-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.77
Rot. Bonds3

About 4-amino-1-methyl-3-propylpyrazole-5-carbaldehyde

4-amino-1-methyl-3-propylpyrazole-5-carbaldehyde (PubChem CID 175381778) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-amino-1-methyl-3-propylpyrazole-5-carbaldehyde.

Molecular Properties

Compound Name4-amino-1-methyl-3-propylpyrazole-5-carbaldehyde
PubChem CID175381778
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-amino-1-methyl-3-propylpyrazole-5-carbaldehyde
SMILESCCCc1nn(C)c(C=O)c1N
InChIInChI=1S/C8H13N3O/c1-3-4-6-8(9)7(5-12)11(2)10-6/h5H,3-4,9H2,1-2H3
InChIKeyNRCVIVFBYFNSFA-UHFFFAOYSA-N
XLogP0.77
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-1-methyl-3-propylpyrazole-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-3-propylpyrazole-5-carbaldehyde?
The IUPAC name of 4-amino-1-methyl-3-propylpyrazole-5-carbaldehyde (CID 175381778) is 4-amino-1-methyl-3-propylpyrazole-5-carbaldehyde.
What is the SMILES notation for 4-amino-1-methyl-3-propylpyrazole-5-carbaldehyde?
The canonical SMILES for 4-amino-1-methyl-3-propylpyrazole-5-carbaldehyde is CCCc1nn(C)c(C=O)c1N.
What is the InChIKey of 4-amino-1-methyl-3-propylpyrazole-5-carbaldehyde?
The InChIKey is NRCVIVFBYFNSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-4-6-8(9)7(5-12)11(2)10-6/h5H,3-4,9H2,1-2H3.
What are the key properties of 4-amino-1-methyl-3-propylpyrazole-5-carbaldehyde?
4-amino-1-methyl-3-propylpyrazole-5-carbaldehyde has a molecular weight of 167.21 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-3-propylpyrazole-5-carbaldehyde is sourced from PubChem (CID 175381778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).