cis-(1S,3R)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropanoyl)amino]cyclopentane-1-carboxamide

C20H23ClF3N5O2 — CID 118032719

IUPACcis-(1S,3R)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropanoyl)amino]cyclopentane-1-carboxamide
SMILESCCN(C(=O)[C@H]1CC[C@@H](N(C)C(=O)CC(F)(F)F)C1)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C20H23ClF3N5O2/c1-3-28(16-12-29(26-18(16)21)15-5-4-8-25-11-15)19(31)13-6-7-14(9-13)27(2)17(30)10-20(22,23)24/h4-5,8,11-14H,3,6-7,9-10H2,1-2H3/t13-,14+/m0/s1
InChIKeyIYCYBMDGTZEZMC-UONOGXRCSA-N
MW457.88 g/mol
LogP3.85
Rot. Bonds6

About cis-(1S,3R)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropanoyl)amino]cyclopentane-1-carboxamide

cis-(1S,3R)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropanoyl)amino]cyclopentane-1-carboxamide (PubChem CID 118032719) has the molecular formula C20H23ClF3N5O2 and a molecular weight of 457.88 g/mol. Its IUPAC name is cis-(1S,3R)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropanoyl)amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropanoyl)amino]cyclopentane-1-carboxamide
PubChem CID118032719
Molecular FormulaC20H23ClF3N5O2
Molecular Weight457.88 g/mol
Exact Mass457.15
IUPAC Namecis-(1S,3R)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropanoyl)amino]cyclopentane-1-carboxamide
SMILESCCN(C(=O)[C@H]1CC[C@@H](N(C)C(=O)CC(F)(F)F)C1)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C20H23ClF3N5O2/c1-3-28(16-12-29(26-18(16)21)15-5-4-8-25-11-15)19(31)13-6-7-14(9-13)27(2)17(30)10-20(22,23)24/h4-5,8,11-14H,3,6-7,9-10H2,1-2H3/t13-,14+/m0/s1
InChIKeyIYCYBMDGTZEZMC-UONOGXRCSA-N
XLogP3.85
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.88
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cis-(1S,3R)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropanoyl)amino]cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxamide
CID 123154868
3-acetamido-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcyclopentane-1-carboxamide
CID 123731564
N-[1-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-1-oxopropan-2-yl]-3,3,3-trifluoro-N-methylpropanamide
CID 118023677
4-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylcarbamoyl]piperidine-1-carboxylic acid
CID 118023582
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-7,7,7-trifluoro-3-oxoheptanamide
CID 118023098
N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-N'-ethyl-N-methylbutanediamide
CID 118022786
N-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl]-4,4,4-trifluorobutanamide
CID 118023947
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
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)-3-[cyclopropylmethylsulfonyl(methyl)amino]-N-ethylpropanamide
CID 90307188

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropanoyl)amino]cyclopentane-1-carboxamide?
The IUPAC name of 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) is cis-(1S,3R)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropanoyl)amino]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropanoyl)amino]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropanoyl)amino]cyclopentane-1-carboxamide is CCN(C(=O)[C@H]1CC[C@@H](N(C)C(=O)CC(F)(F)F)C1)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of cis-(1S,3R)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropanoyl)amino]cyclopentane-1-carboxamide?
The InChIKey is IYCYBMDGTZEZMC-UONOGXRCSA-N. The full InChI is InChI=1S/C20H23ClF3N5O2/c1-3-28(16-12-29(26-18(16)21)15-5-4-8-25-11-15)19(31)13-6-7-14(9-13)27(2)17(30)10-20(22,23)24/h4-5,8,11-14H,3,6-7,9-10H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of cis-(1S,3R)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropanoyl)amino]cyclopentane-1-carboxamide?
cis-(1S,3R)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropanoyl)amino]cyclopentane-1-carboxamide has a molecular weight of 457.88 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropanoyl)amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 118032719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).