N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1-methyl-2-oxoazetidin-3-yl)propanamide

C17H20ClN5O2 — CID 118023439

IUPACN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1-methyl-2-oxoazetidin-3-yl)propanamide
SMILESCCN(C(=O)CCC1CN(C)C1=O)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C17H20ClN5O2/c1-3-22(15(24)7-6-12-10-21(2)17(12)25)14-11-23(20-16(14)18)13-5-4-8-19-9-13/h4-5,8-9,11-12H,3,6-7,10H2,1-2H3
InChIKeyBFYAECGAJWDMFC-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.14
Rot. Bonds6

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1-methyl-2-oxoazetidin-3-yl)propanamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1-methyl-2-oxoazetidin-3-yl)propanamide (PubChem CID 118023439) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1-methyl-2-oxoazetidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1-methyl-2-oxoazetidin-3-yl)propanamide
PubChem CID118023439
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1-methyl-2-oxoazetidin-3-yl)propanamide
SMILESCCN(C(=O)CCC1CN(C)C1=O)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C17H20ClN5O2/c1-3-22(15(24)7-6-12-10-21(2)17(12)25)14-11-23(20-16(14)18)13-5-4-8-19-9-13/h4-5,8-9,11-12H,3,6-7,10H2,1-2H3
InChIKeyBFYAECGAJWDMFC-UHFFFAOYSA-N
XLogP2.14
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-N'-ethyl-N-methylbutanediamide
CID 118022786
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CID 118023676
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-[3-(2-cyanoethyl)-2-oxopyrrolidin-1-yl]-N-ethylacetamide
CID 118032698
[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl]-propylcarbamic acid
CID 118023775
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-[1-(2-cyanoethyl)-2-oxopyrrolidin-3-yl]-N-ethylacetamide
CID 118032699
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]acetamide
CID 118032664
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide
CID 90307188
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-7,7,7-trifluoro-3-oxoheptanamide
CID 118023098
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]azetidin-3-yl]acetamide
CID 118032665
N-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl]-4,4,4-trifluorobutanamide
CID 118023947
N-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl]-4,4,4-trifluoro-2-methylbutanamide
CID 118023218
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-(2,2,2-trifluoroethoxyimino)pentanamide
CID 123192126

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1-methyl-2-oxoazetidin-3-yl)propanamide?
The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1-methyl-2-oxoazetidin-3-yl)propanamide (CID 118023439) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1-methyl-2-oxoazetidin-3-yl)propanamide.
What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1-methyl-2-oxoazetidin-3-yl)propanamide?
The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1-methyl-2-oxoazetidin-3-yl)propanamide is CCN(C(=O)CCC1CN(C)C1=O)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1-methyl-2-oxoazetidin-3-yl)propanamide?
The InChIKey is BFYAECGAJWDMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2/c1-3-22(15(24)7-6-12-10-21(2)17(12)25)14-11-23(20-16(14)18)13-5-4-8-19-9-13/h4-5,8-9,11-12H,3,6-7,10H2,1-2H3.
What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1-methyl-2-oxoazetidin-3-yl)propanamide?
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(1-methyl-2-oxoazetidin-3-yl)propanamide has a molecular weight of 361.83 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 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)-N-ethyl-3-(1-methyl-2-oxoazetidin-3-yl)propanamide is sourced from PubChem (CID 118023439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).