2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide

C14H20ClN5O — CID 19327891

IUPAC2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
SMILESCc1ccnn1CCCNC(=O)C(C)(C)n1cc(Cl)cn1
InChIInChI=1S/C14H20ClN5O/c1-11-5-7-17-19(11)8-4-6-16-13(21)14(2,3)20-10-12(15)9-18-20/h5,7,9-10H,4,6,8H2,1-3H3,(H,16,21)
InChIKeyOHHMSJDDMMOAIK-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.98
Rot. Bonds6

About 2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide

2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide (PubChem CID 19327891) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
PubChem CID19327891
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC Name2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
SMILESCc1ccnn1CCCNC(=O)C(C)(C)n1cc(Cl)cn1
InChIInChI=1S/C14H20ClN5O/c1-11-5-7-17-19(11)8-4-6-16-13(21)14(2,3)20-10-12(15)9-18-20/h5,7,9-10H,4,6,8H2,1-3H3,(H,16,21)
InChIKeyOHHMSJDDMMOAIK-UHFFFAOYSA-N
XLogP1.98
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(4-chloropyrazol-1-yl)-2-methylpropanamide
CID 19326146
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19522915
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19283450
2-(4-chloropyrazol-1-yl)-2-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide
CID 19281860
1-methyl-4-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylic acid
CID 19623863
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)propanamide
CID 19537379
2-(4-bromopyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
CID 19537660
1-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19480219
4-bromo-1,3-dimethyl-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-5-carboxamide
CID 19480499
1-ethyl-3,5-dimethyl-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide
CID 19472186
3,4-dimethoxy-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327875
3-[(4-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327758

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide (CID 19327891) is 2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide is Cc1ccnn1CCCNC(=O)C(C)(C)n1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide?
The InChIKey is OHHMSJDDMMOAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5O/c1-11-5-7-17-19(11)8-4-6-16-13(21)14(2,3)20-10-12(15)9-18-20/h5,7,9-10H,4,6,8H2,1-3H3,(H,16,21).
What are the key properties of 2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide?
2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide has a molecular weight of 309.80 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide is sourced from PubChem (CID 19327891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).