4-amino-N-(3-methoxypropyl)-N,1-dimethylpyrazole-5-carboxamide

C10H18N4O2 — CID 65359471

IUPAC4-amino-N-(3-methoxypropyl)-N,1-dimethylpyrazole-5-carboxamide
SMILESCOCCCN(C)C(=O)c1c(N)cnn1C
InChIInChI=1S/C10H18N4O2/c1-13(5-4-6-16-3)10(15)9-8(11)7-12-14(9)2/h7H,4-6,11H2,1-3H3
InChIKeySVMUVCNEZPHJON-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.11
Rot. Bonds5

About 4-amino-N-(3-methoxypropyl)-N,1-dimethylpyrazole-5-carboxamide

4-amino-N-(3-methoxypropyl)-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 65359471) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-amino-N-(3-methoxypropyl)-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-methoxypropyl)-N,1-dimethylpyrazole-5-carboxamide
PubChem CID65359471
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name4-amino-N-(3-methoxypropyl)-N,1-dimethylpyrazole-5-carboxamide
SMILESCOCCCN(C)C(=O)c1c(N)cnn1C
InChIInChI=1S/C10H18N4O2/c1-13(5-4-6-16-3)10(15)9-8(11)7-12-14(9)2/h7H,4-6,11H2,1-3H3
InChIKeySVMUVCNEZPHJON-UHFFFAOYSA-N
XLogP0.11
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-N-(3-methoxypropyl)-N,1-dimethylpyrazole-5-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 4-amino-N-(3-methoxypropyl)-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(3-methoxypropyl)-N,1-dimethylpyrazole-5-carboxamide (CID 65359471) is 4-amino-N-(3-methoxypropyl)-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-methoxypropyl)-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-methoxypropyl)-N,1-dimethylpyrazole-5-carboxamide is COCCCN(C)C(=O)c1c(N)cnn1C.
What is the InChIKey of 4-amino-N-(3-methoxypropyl)-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is SVMUVCNEZPHJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-13(5-4-6-16-3)10(15)9-8(11)7-12-14(9)2/h7H,4-6,11H2,1-3H3.
What are the key properties of 4-amino-N-(3-methoxypropyl)-N,1-dimethylpyrazole-5-carboxamide?
4-amino-N-(3-methoxypropyl)-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methoxypropyl)-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 65359471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).