N-[1-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-1-oxopropan-2-yl]-3,3,3-trifluoro-N-methylpropanamide

C17H19ClF3N5O2 — CID 118023677

IUPACN-[1-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-1-oxopropan-2-yl]-3,3,3-trifluoro-N-methylpropanamide
SMILESCCN(C(=O)C(C)N(C)C(=O)CC(F)(F)F)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C17H19ClF3N5O2/c1-4-25(16(28)11(2)24(3)14(27)8-17(19,20)21)13-10-26(23-15(13)18)12-6-5-7-22-9-12/h5-7,9-11H,4,8H2,1-3H3
InChIKeyGVCTXWLKDCCSCS-UHFFFAOYSA-N
MW417.82 g/mol
LogP3.07
Rot. Bonds6

About N-[1-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-1-oxopropan-2-yl]-3,3,3-trifluoro-N-methylpropanamide

N-[1-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-1-oxopropan-2-yl]-3,3,3-trifluoro-N-methylpropanamide (PubChem CID 118023677) has the molecular formula C17H19ClF3N5O2 and a molecular weight of 417.82 g/mol. Its IUPAC name is N-[1-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-1-oxopropan-2-yl]-3,3,3-trifluoro-N-methylpropanamide.

Molecular Properties

Compound NameN-[1-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-1-oxopropan-2-yl]-3,3,3-trifluoro-N-methylpropanamide
PubChem CID118023677
Molecular FormulaC17H19ClF3N5O2
Molecular Weight417.82 g/mol
Exact Mass417.12
IUPAC NameN-[1-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-1-oxopropan-2-yl]-3,3,3-trifluoro-N-methylpropanamide
SMILESCCN(C(=O)C(C)N(C)C(=O)CC(F)(F)F)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C17H19ClF3N5O2/c1-4-25(16(28)11(2)24(3)14(27)8-17(19,20)21)13-10-26(23-15(13)18)12-6-5-7-22-9-12/h5-7,9-11H,4,8H2,1-3H3
InChIKeyGVCTXWLKDCCSCS-UHFFFAOYSA-N
XLogP3.07
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.82
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-[dimethylcarbamoyl(methyl)amino]-N-ethylpropanamide
CID 118023159
N-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl]-4,4,4-trifluoro-2-methylbutanamide
CID 118023218
cis-(1S,3R)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropanoyl)amino]cyclopentane-1-carboxamide
CID 118032719
2-(4-chlorophenyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide
CID 69260729
N-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl]-4,4,4-trifluorobutanamide
CID 118023947
S-[1-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-2-methyl-1-oxopentan-3-yl] carbamothioate
CID 118023858
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-4,4,4-trifluorobut-2-enamide
CID 123277810
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-(2,2,2-trifluoroethoxyimino)pentanamide
CID 123192126
(4E)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-(2,2,2-trifluoroethoxyimino)pentanamide
CID 118032679
(E)-N-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl]-4,4,4-trifluorobut-2-enamide
CID 118023790
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanyl-N-propylpropanamide
CID 129156294

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-1-oxopropan-2-yl]-3,3,3-trifluoro-N-methylpropanamide?
The IUPAC name of N-[1-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-1-oxopropan-2-yl]-3,3,3-trifluoro-N-methylpropanamide (CID 118023677) is N-[1-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-1-oxopropan-2-yl]-3,3,3-trifluoro-N-methylpropanamide.
What is the SMILES notation for N-[1-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-1-oxopropan-2-yl]-3,3,3-trifluoro-N-methylpropanamide?
The canonical SMILES for N-[1-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-1-oxopropan-2-yl]-3,3,3-trifluoro-N-methylpropanamide is CCN(C(=O)C(C)N(C)C(=O)CC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of N-[1-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-1-oxopropan-2-yl]-3,3,3-trifluoro-N-methylpropanamide?
The InChIKey is GVCTXWLKDCCSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClF3N5O2/c1-4-25(16(28)11(2)24(3)14(27)8-17(19,20)21)13-10-26(23-15(13)18)12-6-5-7-22-9-12/h5-7,9-11H,4,8H2,1-3H3.
What are the key properties of N-[1-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-1-oxopropan-2-yl]-3,3,3-trifluoro-N-methylpropanamide?
N-[1-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-1-oxopropan-2-yl]-3,3,3-trifluoro-N-methylpropanamide has a molecular weight of 417.82 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-1-oxopropan-2-yl]-3,3,3-trifluoro-N-methylpropanamide is sourced from PubChem (CID 118023677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).