N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxamide

C19H21ClF3N5O2 — CID 123154868

IUPACN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxamide
SMILESCCN(C(=O)C1CCC(N(C)C(=O)C(F)(F)F)C1)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C19H21ClF3N5O2/c1-3-27(15-11-28(25-16(15)20)14-5-4-8-24-10-14)17(29)12-6-7-13(9-12)26(2)18(30)19(21,22)23/h4-5,8,10-13H,3,6-7,9H2,1-2H3
InChIKeyMITHJTDYVHRCGI-UHFFFAOYSA-N
MW443.86 g/mol
LogP3.46
Rot. Bonds5

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxamide (PubChem CID 123154868) has the molecular formula C19H21ClF3N5O2 and a molecular weight of 443.86 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxamide
PubChem CID123154868
Molecular FormulaC19H21ClF3N5O2
Molecular Weight443.86 g/mol
Exact Mass443.13
IUPAC NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxamide
SMILESCCN(C(=O)C1CCC(N(C)C(=O)C(F)(F)F)C1)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C19H21ClF3N5O2/c1-3-27(15-11-28(25-16(15)20)14-5-4-8-24-10-14)17(29)12-6-7-13(9-12)26(2)18(30)19(21,22)23/h4-5,8,10-13H,3,6-7,9H2,1-2H3
InChIKeyMITHJTDYVHRCGI-UHFFFAOYSA-N
XLogP3.46
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.86
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-acetamido-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcyclopentane-1-carboxamide
CID 123731564
4-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylcarbamoyl]piperidine-1-carboxylic acid
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N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4,4,4-trifluorobut-2-enamide
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N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-N'-ethyl-N-methylbutanediamide
CID 118022786
tert-butyl 2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylcarbamoyl]piperidine-1-carboxylate
CID 118032657
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-7,7,7-trifluoro-3-oxoheptanamide
CID 118023098
N-[1-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-1-oxopropan-2-yl]-3,3,3-trifluoro-N-methylpropanamide
CID 118023677
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-(2,2,2-trifluoroethoxyimino)pentanamide
CID 123192126
N-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl]-4,4,4-trifluoro-2-methylbutanamide
CID 118023218
(4E)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-(2,2,2-trifluoroethoxyimino)pentanamide
CID 118032679
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

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxamide?
The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxamide (CID 123154868) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxamide?
The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxamide is CCN(C(=O)C1CCC(N(C)C(=O)C(F)(F)F)C1)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxamide?
The InChIKey is MITHJTDYVHRCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF3N5O2/c1-3-27(15-11-28(25-16(15)20)14-5-4-8-24-10-14)17(29)12-6-7-13(9-12)26(2)18(30)19(21,22)23/h4-5,8,10-13H,3,6-7,9H2,1-2H3.
What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxamide?
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxamide has a molecular weight of 443.86 g/mol, XLogP of 3.46, 5 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-[methyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 123154868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).