(3R,4S)-N-[(2-chloro-6-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride

C19H25Cl2FN4O — CID 120924896

IUPAC(3R,4S)-N-[(2-chloro-6-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCCN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1.Cl
InChIInChI=1S/C19H24ClFN4O.ClH/c1-3-7-25(12-16-17(20)5-4-6-18(16)21)19(26)15-10-22-9-14(15)13-8-23-24(2)11-13;/h4-6,8,11,14-15,22H,3,7,9-10,12H2,1-2H3;1H/t14-,15+;/m1./s1
InChIKeyZBWMLLYOKXCJEC-LIOBNPLQSA-N
MW415.34 g/mol
LogP3.38
Rot. Bonds6

About (3R,4S)-N-[(2-chloro-6-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride

(3R,4S)-N-[(2-chloro-6-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120924896) has the molecular formula C19H25Cl2FN4O and a molecular weight of 415.34 g/mol. Its IUPAC name is (3R,4S)-N-[(2-chloro-6-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-N-[(2-chloro-6-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID120924896
Molecular FormulaC19H25Cl2FN4O
Molecular Weight415.34 g/mol
Exact Mass414.14
IUPAC Name(3R,4S)-N-[(2-chloro-6-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCCN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1.Cl
InChIInChI=1S/C19H24ClFN4O.ClH/c1-3-7-25(12-16-17(20)5-4-6-18(16)21)19(26)15-10-22-9-14(15)13-8-23-24(2)11-13;/h4-6,8,11,14-15,22H,3,7,9-10,12H2,1-2H3;1H/t14-,15+;/m1./s1
InChIKeyZBWMLLYOKXCJEC-LIOBNPLQSA-N
XLogP3.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4S)-N-[(2-chloro-6-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;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

(3R,4S)-N-benzyl-N-[(2-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120925138
(3R,4S)-N,N-dibenzyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120916882
(3R,4S)-N-[(2-fluorophenyl)methyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120918484
(3R,4S)-N-[(2-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-N-prop-2-enylpyrrolidine-3-carboxamide;hydrochloride
CID 120927427
(3R,4S)-N-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120931713
(3R,4S)-N-ethyl-N-[(2-methylphenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120924085
(3R,4S)-N-ethyl-4-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 120941691
(3R,4S)-N-benzyl-N-(2,2-difluoroethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120935641
(3R,4S)-N-ethyl-4-(1-methylpyrazol-4-yl)-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 120916947
(3R,4S)-N-[(4-ethylphenyl)methyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120918369
(3R,4S)-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120931393
(3R,4S)-N-(3-chloro-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120917469

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-[(2-chloro-6-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of (3R,4S)-N-[(2-chloro-6-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride (CID 120924896) is (3R,4S)-N-[(2-chloro-6-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3R,4S)-N-[(2-chloro-6-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3R,4S)-N-[(2-chloro-6-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride is CCCN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1.Cl.
What is the InChIKey of (3R,4S)-N-[(2-chloro-6-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is ZBWMLLYOKXCJEC-LIOBNPLQSA-N. The full InChI is InChI=1S/C19H24ClFN4O.ClH/c1-3-7-25(12-16-17(20)5-4-6-18(16)21)19(26)15-10-22-9-14(15)13-8-23-24(2)11-13;/h4-6,8,11,14-15,22H,3,7,9-10,12H2,1-2H3;1H/t14-,15+;/m1./s1.
What are the key properties of (3R,4S)-N-[(2-chloro-6-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride?
(3R,4S)-N-[(2-chloro-6-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 415.34 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-[(2-chloro-6-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120924896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).