(2R)-N-(2,5-dimethylpyrazol-3-yl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

C18H24N4O2 — CID 94451985

IUPAC(2R)-N-(2,5-dimethylpyrazol-3-yl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(C[C@H]2CCCN2C(=O)Nc2cc(C)nn2C)cc1
InChIInChI=1S/C18H24N4O2/c1-13-11-17(21(2)20-13)19-18(23)22-10-4-5-15(22)12-14-6-8-16(24-3)9-7-14/h6-9,11,15H,4-5,10,12H2,1-3H3,(H,19,23)/t15-/m1/s1
InChIKeyDDHUZNNFRXZLLW-OAHLLOKOSA-N
MW328.42 g/mol
LogP2.98
Rot. Bonds4

About (2R)-N-(2,5-dimethylpyrazol-3-yl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

(2R)-N-(2,5-dimethylpyrazol-3-yl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 94451985) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2R)-N-(2,5-dimethylpyrazol-3-yl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dimethylpyrazol-3-yl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID94451985
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2R)-N-(2,5-dimethylpyrazol-3-yl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(C[C@H]2CCCN2C(=O)Nc2cc(C)nn2C)cc1
InChIInChI=1S/C18H24N4O2/c1-13-11-17(21(2)20-13)19-18(23)22-10-4-5-15(22)12-14-6-8-16(24-3)9-7-14/h6-9,11,15H,4-5,10,12H2,1-3H3,(H,19,23)/t15-/m1/s1
InChIKeyDDHUZNNFRXZLLW-OAHLLOKOSA-N
XLogP2.98
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 47069538
(2R)-2-[(4-methoxyphenyl)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
CID 94031776
(3S)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94824109
[(2R)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 94620742
2-benzyl-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide
CID 51134992
[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 56820329
1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 56779478
1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95605851
N-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 139001901
(3S)-N-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 42109687
(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 111427679
(2,4-difluoro-6-hydroxyphenyl)-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 95165164

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dimethylpyrazol-3-yl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(2,5-dimethylpyrazol-3-yl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide (CID 94451985) is (2R)-N-(2,5-dimethylpyrazol-3-yl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(2,5-dimethylpyrazol-3-yl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(2,5-dimethylpyrazol-3-yl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide is COc1ccc(C[C@H]2CCCN2C(=O)Nc2cc(C)nn2C)cc1.
What is the InChIKey of (2R)-N-(2,5-dimethylpyrazol-3-yl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is DDHUZNNFRXZLLW-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-11-17(21(2)20-13)19-18(23)22-10-4-5-15(22)12-14-6-8-16(24-3)9-7-14/h6-9,11,15H,4-5,10,12H2,1-3H3,(H,19,23)/t15-/m1/s1.
What are the key properties of (2R)-N-(2,5-dimethylpyrazol-3-yl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
(2R)-N-(2,5-dimethylpyrazol-3-yl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dimethylpyrazol-3-yl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 94451985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).