(2S,4S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide

C19H26N4O2 — CID 128975644

IUPAC(2S,4S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)NCc2c(C)nn(-c3ccccc3)c2C)N(C)C1
InChIInChI=1S/C19H26N4O2/c1-13-17(14(2)23(21-13)15-8-6-5-7-9-15)11-20-19(24)18-10-16(25-4)12-22(18)3/h5-9,16,18H,10-12H2,1-4H3,(H,20,24)/t16-,18-/m0/s1
InChIKeyQAUBXYGFUPKSFK-WMZOPIPTSA-N
MW342.44 g/mol
LogP1.82
Rot. Bonds5

About (2S,4S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide

(2S,4S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide (PubChem CID 128975644) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2S,4S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
PubChem CID128975644
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2S,4S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)NCc2c(C)nn(-c3ccccc3)c2C)N(C)C1
InChIInChI=1S/C19H26N4O2/c1-13-17(14(2)23(21-13)15-8-6-5-7-9-15)11-20-19(24)18-10-16(25-4)12-22(18)3/h5-9,16,18H,10-12H2,1-4H3,(H,20,24)/t16-,18-/m0/s1
InChIKeyQAUBXYGFUPKSFK-WMZOPIPTSA-N
XLogP1.82
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxypropanamide
CID 35760836
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 99699804
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 19481238
(3R,4S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120919686
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxy-4-methylbenzamide
CID 8531518
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide
CID 119691735
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 56810569
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473347
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907001
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-methoxyethoxy)methanamine
CID 82714639
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide
CID 119691759
methyl 6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylcarbamoyl]pyridine-3-carboxylate
CID 134039468

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide (CID 128975644) is (2S,4S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(=O)NCc2c(C)nn(-c3ccccc3)c2C)N(C)C1.
What is the InChIKey of (2S,4S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide?
The InChIKey is QAUBXYGFUPKSFK-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-17(14(2)23(21-13)15-8-6-5-7-9-15)11-20-19(24)18-10-16(25-4)12-22(18)3/h5-9,16,18H,10-12H2,1-4H3,(H,20,24)/t16-,18-/m0/s1.
What are the key properties of (2S,4S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide?
(2S,4S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 128975644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).