N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylamino)-N-ethylpropanamide

C17H22ClF2N5O — CID 123335678

IUPACN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylamino)-N-ethylpropanamide
SMILESCCN(C(=O)CCNCCC(C)(F)F)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C17H22ClF2N5O/c1-3-24(15(26)6-9-21-10-7-17(2,19)20)14-12-25(23-16(14)18)13-5-4-8-22-11-13/h4-5,8,11-12,21H,3,6-7,9-10H2,1-2H3
InChIKeyDZNCIFGZLUZFSW-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.30
Rot. Bonds9

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylamino)-N-ethylpropanamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylamino)-N-ethylpropanamide (PubChem CID 123335678) has the molecular formula C17H22ClF2N5O and a molecular weight of 385.85 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylamino)-N-ethylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylamino)-N-ethylpropanamide
PubChem CID123335678
Molecular FormulaC17H22ClF2N5O
Molecular Weight385.85 g/mol
Exact Mass385.15
IUPAC NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylamino)-N-ethylpropanamide
SMILESCCN(C(=O)CCNCCC(C)(F)F)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C17H22ClF2N5O/c1-3-24(15(26)6-9-21-10-7-17(2,19)20)14-12-25(23-16(14)18)13-5-4-8-22-11-13/h4-5,8,11-12,21H,3,6-7,9-10H2,1-2H3
InChIKeyDZNCIFGZLUZFSW-UHFFFAOYSA-N
XLogP3.30
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylamino)-N-ethylpropanamide 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-(2-chloro-3-pyridinyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 1225828
N-(2-chloropyridin-3-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
CID 4988277
1-(4-(4-chloro-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450730
4-chloro-1-methyl-N-(3-pyridyl)-1H-pyrazole-5-carboxamide
CID 700794
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-pyridin-3-ylacetamide
CID 3236806
US9963443, Reference Example 5
CID 76283990
2-(4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)-N-(2-chloropyridin-3-yl)acetamide
CID 1922700
2-(4-Chloro-3,5-dimethyl-pyrazol-1-yl)-1-(4-pyridin-4-yl-piperazin-1-yl)-ethanone
CID 21071057
1-[4-(4-chloropyrazol-1-yl)pyridin-3-yl]-N-cyclopentyl-3,3-difluoropiperidine-4-carboxamide
CID 118450561
2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(pyridin-3-yl)propanamide
CID 4867280
2-Methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N~1~-(4-pyridyl)propanamide
CID 4867339
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide
CID 19534642

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylamino)-N-ethylpropanamide?
The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylamino)-N-ethylpropanamide (CID 123335678) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylamino)-N-ethylpropanamide.
What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylamino)-N-ethylpropanamide?
The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylamino)-N-ethylpropanamide is CCN(C(=O)CCNCCC(C)(F)F)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylamino)-N-ethylpropanamide?
The InChIKey is DZNCIFGZLUZFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClF2N5O/c1-3-24(15(26)6-9-21-10-7-17(2,19)20)14-12-25(23-16(14)18)13-5-4-8-22-11-13/h4-5,8,11-12,21H,3,6-7,9-10H2,1-2H3.
What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylamino)-N-ethylpropanamide?
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylamino)-N-ethylpropanamide has a molecular weight of 385.85 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylamino)-N-ethylpropanamide is sourced from PubChem (CID 123335678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).