N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide

C16H19ClF3N5O — CID 86700620

IUPACN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide
SMILESCCN(C(=O)CCNCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C16H19ClF3N5O/c1-2-24(14(26)5-8-21-9-6-16(18,19)20)13-11-25(23-15(13)17)12-4-3-7-22-10-12/h3-4,7,10-11,21H,2,5-6,8-9H2,1H3
InChIKeyYSXJZAZKHKQKSW-UHFFFAOYSA-N
MW389.81 g/mol
LogP3.21
Rot. Bonds8

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide (PubChem CID 86700620) has the molecular formula C16H19ClF3N5O and a molecular weight of 389.81 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide
PubChem CID86700620
Molecular FormulaC16H19ClF3N5O
Molecular Weight389.81 g/mol
Exact Mass389.12
IUPAC NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide
SMILESCCN(C(=O)CCNCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C16H19ClF3N5O/c1-2-24(14(26)5-8-21-9-6-16(18,19)20)13-11-25(23-15(13)17)12-4-3-7-22-10-12/h3-4,7,10-11,21H,2,5-6,8-9H2,1H3
InChIKeyYSXJZAZKHKQKSW-UHFFFAOYSA-N
XLogP3.21
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide?
The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide (CID 86700620) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide.
What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide?
The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide is CCN(C(=O)CCNCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide?
The InChIKey is YSXJZAZKHKQKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF3N5O/c1-2-24(14(26)5-8-21-9-6-16(18,19)20)13-11-25(23-15(13)17)12-4-3-7-22-10-12/h3-4,7,10-11,21H,2,5-6,8-9H2,1H3.
What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide?
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide has a molecular weight of 389.81 g/mol, XLogP of 3.21, 8 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)-N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide is sourced from PubChem (CID 86700620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).