(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride

C17H23ClN4O2 — CID 169000409

IUPAC(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1)c1ccc(-c2ccnn2C)cc1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-11(20-17(23)15-9-14(22)10-18-15)12-3-5-13(6-4-12)16-7-8-19-21(16)2;/h3-8,11,14-15,18,22H,9-10H2,1-2H3,(H,20,23);1H/t11-,14+,15-;/m0./s1
InChIKeyUXGMBWFMTXZCKB-NSIIQMADSA-N
MW350.85 g/mol
LogP1.41
Rot. Bonds4

About (2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride

(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 169000409) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID169000409
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1)c1ccc(-c2ccnn2C)cc1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-11(20-17(23)15-9-14(22)10-18-15)12-3-5-13(6-4-12)16-7-8-19-21(16)2;/h3-8,11,14-15,18,22H,9-10H2,1-2H3,(H,20,23);1H/t11-,14+,15-;/m0./s1
InChIKeyUXGMBWFMTXZCKB-NSIIQMADSA-N
XLogP1.41
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43702940
4-hydroxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 43699561
N-[1-(3,4-difluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43702101
N-[1-(4-ethynylphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 170438638
(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 126619720
tert-butyl (2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 166035333
(2S,4R)-4-hydroxy-N-[1-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]ethyl]pyrrolidine-2-carboxamide
CID 146502268
(2R,4R)-4-hydroxy-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 124692825
(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 158999580
N-[1-(3-bromophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43699119
4-hydroxy-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81380061
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 81378542

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride (CID 169000409) is (2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride is C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1)c1ccc(-c2ccnn2C)cc1.Cl.
What is the InChIKey of (2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is UXGMBWFMTXZCKB-NSIIQMADSA-N. The full InChI is InChI=1S/C17H22N4O2.ClH/c1-11(20-17(23)15-9-14(22)10-18-15)12-3-5-13(6-4-12)16-7-8-19-21(16)2;/h3-8,11,14-15,18,22H,9-10H2,1-2H3,(H,20,23);1H/t11-,14+,15-;/m0./s1.
What are the key properties of (2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-N-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 169000409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).