(2S,4S)-4-methoxy-1-[1-(4-methoxyphenyl)pyrazole-3-carbonyl]pyrrolidine-2-carboxamide

C17H20N4O4 — CID 122132866

IUPAC(2S,4S)-4-methoxy-1-[1-(4-methoxyphenyl)pyrazole-3-carbonyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(-n2ccc(C(=O)N3C[C@@H](OC)C[C@H]3C(N)=O)n2)cc1
InChIInChI=1S/C17H20N4O4/c1-24-12-5-3-11(4-6-12)21-8-7-14(19-21)17(23)20-10-13(25-2)9-15(20)16(18)22/h3-8,13,15H,9-10H2,1-2H3,(H2,18,22)/t13-,15-/m0/s1
InChIKeyNOPFGCYIUKSFRU-ZFWWWQNUSA-N
MW344.37 g/mol
LogP0.60
Rot. Bonds5

About (2S,4S)-4-methoxy-1-[1-(4-methoxyphenyl)pyrazole-3-carbonyl]pyrrolidine-2-carboxamide

(2S,4S)-4-methoxy-1-[1-(4-methoxyphenyl)pyrazole-3-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 122132866) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is (2S,4S)-4-methoxy-1-[1-(4-methoxyphenyl)pyrazole-3-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-methoxy-1-[1-(4-methoxyphenyl)pyrazole-3-carbonyl]pyrrolidine-2-carboxamide
PubChem CID122132866
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name(2S,4S)-4-methoxy-1-[1-(4-methoxyphenyl)pyrazole-3-carbonyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(-n2ccc(C(=O)N3C[C@@H](OC)C[C@H]3C(N)=O)n2)cc1
InChIInChI=1S/C17H20N4O4/c1-24-12-5-3-11(4-6-12)21-8-7-14(19-21)17(23)20-10-13(25-2)9-15(20)16(18)22/h3-8,13,15H,9-10H2,1-2H3,(H2,18,22)/t13-,15-/m0/s1
InChIKeyNOPFGCYIUKSFRU-ZFWWWQNUSA-N
XLogP0.60
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4S)-1-(1-cyclopentylpyrazole-3-carbonyl)-4-methoxypyrrolidine-2-carboxamide
CID 128983763
(4-amino-2-methylpiperidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 122149214
(2,4-dimethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 71877262
(2S,4S)-1-(4-imidazol-1-ylbenzoyl)-4-methoxypyrrolidine-2-carboxamide
CID 128983700
(3-aminopyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119482974
[2-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119436927
(2,2-dimethylpyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 86768279
(2S,4S)-1-(1,3-dimethylpyrrole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide
CID 128983796
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119519940
[4-(1-hydroxyethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 111429739
(2S,4S)-4-methoxy-1-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]pyrrolidine-2-carboxamide
CID 128983730
(3-amino-7-azaspiro[3.5]nonan-7-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 154872028

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methoxy-1-[1-(4-methoxyphenyl)pyrazole-3-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-methoxy-1-[1-(4-methoxyphenyl)pyrazole-3-carbonyl]pyrrolidine-2-carboxamide (CID 122132866) is (2S,4S)-4-methoxy-1-[1-(4-methoxyphenyl)pyrazole-3-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-methoxy-1-[1-(4-methoxyphenyl)pyrazole-3-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-methoxy-1-[1-(4-methoxyphenyl)pyrazole-3-carbonyl]pyrrolidine-2-carboxamide is COc1ccc(-n2ccc(C(=O)N3C[C@@H](OC)C[C@H]3C(N)=O)n2)cc1.
What is the InChIKey of (2S,4S)-4-methoxy-1-[1-(4-methoxyphenyl)pyrazole-3-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is NOPFGCYIUKSFRU-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-24-12-5-3-11(4-6-12)21-8-7-14(19-21)17(23)20-10-13(25-2)9-15(20)16(18)22/h3-8,13,15H,9-10H2,1-2H3,(H2,18,22)/t13-,15-/m0/s1.
What are the key properties of (2S,4S)-4-methoxy-1-[1-(4-methoxyphenyl)pyrazole-3-carbonyl]pyrrolidine-2-carboxamide?
(2S,4S)-4-methoxy-1-[1-(4-methoxyphenyl)pyrazole-3-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methoxy-1-[1-(4-methoxyphenyl)pyrazole-3-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 122132866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).