1-(4-amino-3-propoxyphenyl)-N-methylpyrazole-3-carboxamide

C14H18N4O2 — CID 64782821

IUPAC1-(4-amino-3-propoxyphenyl)-N-methylpyrazole-3-carboxamide
SMILESCCCOc1cc(-n2ccc(C(=O)NC)n2)ccc1N
InChIInChI=1S/C14H18N4O2/c1-3-8-20-13-9-10(4-5-11(13)15)18-7-6-12(17-18)14(19)16-2/h4-7,9H,3,8,15H2,1-2H3,(H,16,19)
InChIKeyYFBDIKRBPWUDGN-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.60
Rot. Bonds5

About 1-(4-amino-3-propoxyphenyl)-N-methylpyrazole-3-carboxamide

1-(4-amino-3-propoxyphenyl)-N-methylpyrazole-3-carboxamide (PubChem CID 64782821) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(4-amino-3-propoxyphenyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-amino-3-propoxyphenyl)-N-methylpyrazole-3-carboxamide
PubChem CID64782821
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-(4-amino-3-propoxyphenyl)-N-methylpyrazole-3-carboxamide
SMILESCCCOc1cc(-n2ccc(C(=O)NC)n2)ccc1N
InChIInChI=1S/C14H18N4O2/c1-3-8-20-13-9-10(4-5-11(13)15)18-7-6-12(17-18)14(19)16-2/h4-7,9H,3,8,15H2,1-2H3,(H,16,19)
InChIKeyYFBDIKRBPWUDGN-UHFFFAOYSA-N
XLogP1.60
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(4-amino-3-propoxyphenyl)-N-methylpyrazole-3-carboxamide 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 1-(4-amino-3-propoxyphenyl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-amino-3-propoxyphenyl)-N-methylpyrazole-3-carboxamide (CID 64782821) is 1-(4-amino-3-propoxyphenyl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-amino-3-propoxyphenyl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-amino-3-propoxyphenyl)-N-methylpyrazole-3-carboxamide is CCCOc1cc(-n2ccc(C(=O)NC)n2)ccc1N.
What is the InChIKey of 1-(4-amino-3-propoxyphenyl)-N-methylpyrazole-3-carboxamide?
The InChIKey is YFBDIKRBPWUDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-8-20-13-9-10(4-5-11(13)15)18-7-6-12(17-18)14(19)16-2/h4-7,9H,3,8,15H2,1-2H3,(H,16,19).
What are the key properties of 1-(4-amino-3-propoxyphenyl)-N-methylpyrazole-3-carboxamide?
1-(4-amino-3-propoxyphenyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-propoxyphenyl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 64782821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).