N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide

C19H23ClF3N5O — CID 118032708

IUPACN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(CCC(F)(F)F)CC1)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C19H23ClF3N5O/c1-2-27(16-13-28(25-17(16)20)15-4-3-8-24-12-15)18(29)14-5-9-26(10-6-14)11-7-19(21,22)23/h3-4,8,12-14H,2,5-7,9-11H2,1H3
InChIKeyBRLFQBMANFHIEK-UHFFFAOYSA-N
MW429.87 g/mol
LogP3.94
Rot. Bonds6

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide (PubChem CID 118032708) has the molecular formula C19H23ClF3N5O and a molecular weight of 429.87 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
PubChem CID118032708
Molecular FormulaC19H23ClF3N5O
Molecular Weight429.87 g/mol
Exact Mass429.15
IUPAC NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(CCC(F)(F)F)CC1)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C19H23ClF3N5O/c1-2-27(16-13-28(25-17(16)20)15-4-3-8-24-12-15)18(29)14-5-9-26(10-6-14)11-7-19(21,22)23/h3-4,8,12-14H,2,5-7,9-11H2,1H3
InChIKeyBRLFQBMANFHIEK-UHFFFAOYSA-N
XLogP3.94
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.87
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide (CID 118032708) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide is CCN(C(=O)C1CCN(CCC(F)(F)F)CC1)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The InChIKey is BRLFQBMANFHIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClF3N5O/c1-2-27(16-13-28(25-17(16)20)15-4-3-8-24-12-15)18(29)14-5-9-26(10-6-14)11-7-19(21,22)23/h3-4,8,12-14H,2,5-7,9-11H2,1H3.
What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide has a molecular weight of 429.87 g/mol, XLogP of 3.94, 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-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide is sourced from PubChem (CID 118032708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).