(2S,4R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide

C18H24N4O2 — CID 125150535

IUPAC(2S,4R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCc1cc(C)n(Cc2cccc(CNC(=O)[C@@H]3C[C@@H](O)CN3)c2)n1
InChIInChI=1S/C18H24N4O2/c1-12-6-13(2)22(21-12)11-15-5-3-4-14(7-15)9-20-18(24)17-8-16(23)10-19-17/h3-7,16-17,19,23H,8-11H2,1-2H3,(H,20,24)/t16-,17+/m1/s1
InChIKeyDWCWNXPJVXDICD-SJORKVTESA-N
MW328.42 g/mol
LogP0.89
Rot. Bonds5

About (2S,4R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide

(2S,4R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 125150535) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2S,4R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID125150535
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2S,4R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCc1cc(C)n(Cc2cccc(CNC(=O)[C@@H]3C[C@@H](O)CN3)c2)n1
InChIInChI=1S/C18H24N4O2/c1-12-6-13(2)22(21-12)11-15-5-3-4-14(7-15)9-20-18(24)17-8-16(23)10-19-17/h3-7,16-17,19,23H,8-11H2,1-2H3,(H,20,24)/t16-,17+/m1/s1
InChIKeyDWCWNXPJVXDICD-SJORKVTESA-N
XLogP0.89
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 100650872
(3R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
CID 124695970
(2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide
CID 124588176
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119842520
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119752914
methyl 2-[3-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]phenoxy]acetate
CID 119787113
(2R,4R)-N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124587754
trans-(1S,2S)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 95617250
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-morpholin-4-ylacetamide
CID 75499508
(2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 170699848
(2R,4S)-4-hydroxy-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 124688746

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide (CID 125150535) is (2S,4R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide is Cc1cc(C)n(Cc2cccc(CNC(=O)[C@@H]3C[C@@H](O)CN3)c2)n1.
What is the InChIKey of (2S,4R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is DWCWNXPJVXDICD-SJORKVTESA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-6-13(2)22(21-12)11-15-5-3-4-14(7-15)9-20-18(24)17-8-16(23)10-19-17/h3-7,16-17,19,23H,8-11H2,1-2H3,(H,20,24)/t16-,17+/m1/s1.
What are the key properties of (2S,4R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
(2S,4R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 125150535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).