3-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N,N-dimethylpropanamide

C15H18ClN5O2 — CID 56814570

IUPAC3-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC(=O)Nc1cccc(Cl)c1-n1cccn1
InChIInChI=1S/C15H18ClN5O2/c1-20(2)13(22)7-9-17-15(23)19-12-6-3-5-11(16)14(12)21-10-4-8-18-21/h3-6,8,10H,7,9H2,1-2H3,(H2,17,19,23)
InChIKeySDUNKBPOIXSKEP-UHFFFAOYSA-N
MW335.80 g/mol
LogP2.13
Rot. Bonds5

About 3-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N,N-dimethylpropanamide

3-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N,N-dimethylpropanamide (PubChem CID 56814570) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is 3-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N,N-dimethylpropanamide
PubChem CID56814570
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC Name3-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC(=O)Nc1cccc(Cl)c1-n1cccn1
InChIInChI=1S/C15H18ClN5O2/c1-20(2)13(22)7-9-17-15(23)19-12-6-3-5-11(16)14(12)21-10-4-8-18-21/h3-6,8,10H,7,9H2,1-2H3,(H2,17,19,23)
InChIKeySDUNKBPOIXSKEP-UHFFFAOYSA-N
XLogP2.13
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N,N-dimethylpropanamide 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 3-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N,N-dimethylpropanamide (CID 56814570) is 3-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNC(=O)Nc1cccc(Cl)c1-n1cccn1.
What is the InChIKey of 3-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N,N-dimethylpropanamide?
The InChIKey is SDUNKBPOIXSKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2/c1-20(2)13(22)7-9-17-15(23)19-12-6-3-5-11(16)14(12)21-10-4-8-18-21/h3-6,8,10H,7,9H2,1-2H3,(H2,17,19,23).
What are the key properties of 3-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N,N-dimethylpropanamide?
3-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N,N-dimethylpropanamide has a molecular weight of 335.80 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 56814570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).