(5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone;hydrochloride

C23H28ClF3N4O — CID 11973772

IUPAC(5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1cnn(C2CCNCC2)c1C1CC1)N1CC[C@@H](c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C23H27F3N4O.ClH/c24-23(25,26)20-4-2-1-3-18(20)16-9-12-29(14-16)22(31)19-13-28-30(21(19)15-5-6-15)17-7-10-27-11-8-17;/h1-4,13,15-17,27H,5-12,14H2;1H/t16-;/m1./s1
InChIKeyAKJJRVLHYULHLQ-PKLMIRHRSA-N
MW468.95 g/mol
LogP4.76
Rot. Bonds4

About (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone;hydrochloride

(5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 11973772) has the molecular formula C23H28ClF3N4O and a molecular weight of 468.95 g/mol. Its IUPAC name is (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID11973772
Molecular FormulaC23H28ClF3N4O
Molecular Weight468.95 g/mol
Exact Mass468.19
IUPAC Name(5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1cnn(C2CCNCC2)c1C1CC1)N1CC[C@@H](c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C23H27F3N4O.ClH/c24-23(25,26)20-4-2-1-3-18(20)16-9-12-29(14-16)22(31)19-13-28-30(21(19)15-5-6-15)17-7-10-27-11-8-17;/h1-4,13,15-17,27H,5-12,14H2;1H/t16-;/m1./s1
InChIKeyAKJJRVLHYULHLQ-PKLMIRHRSA-N
XLogP4.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.95
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone;hydrochloride 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

Sedaxane
CID 11688533
CID 155557232
CID 155557232
N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazole-4-carboxamide
CID 16193474
N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxamide
CID 89741711
N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)benzamide
CID 118408862
US9670157, 118 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-benzyl]-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid 4-aminomethyl-2,6-dimethyl-benzylamide
CID 86290529
US10844044, Example 336
CID 146455830
US10844044, Example 337
CID 146455937
US10844044, Example 341
CID 146455975
[5-Cyclopropyl-1-[1-[1-(hydroxymethyl)cyclopropylcarbonyl]piperidine-4-yl]-1H-pyrazole-4-yl][(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-yl]methanone
CID 15947669
Hu7691 free base
CID 135274950
N-({1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methyl)-4-fluorobenzamide
CID 16191911

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone;hydrochloride (CID 11973772) is (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone;hydrochloride is Cl.O=C(c1cnn(C2CCNCC2)c1C1CC1)N1CC[C@@H](c2ccccc2C(F)(F)F)C1.
What is the InChIKey of (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is AKJJRVLHYULHLQ-PKLMIRHRSA-N. The full InChI is InChI=1S/C23H27F3N4O.ClH/c24-23(25,26)20-4-2-1-3-18(20)16-9-12-29(14-16)22(31)19-13-28-30(21(19)15-5-6-15)17-7-10-27-11-8-17;/h1-4,13,15-17,27H,5-12,14H2;1H/t16-;/m1./s1.
What are the key properties of (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone;hydrochloride?
(5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 468.95 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 11973772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).