(3-cyclopropyl-1-phenylpyrazol-5-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone

C25H27N3O3 — CID 17441475

IUPAC(3-cyclopropyl-1-phenylpyrazol-5-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(OC)c(C2CCCN2C(=O)c2cc(C3CC3)nn2-c2ccccc2)c1
InChIInChI=1S/C25H27N3O3/c1-30-19-12-13-24(31-2)20(15-19)22-9-6-14-27(22)25(29)23-16-21(17-10-11-17)26-28(23)18-7-4-3-5-8-18/h3-5,7-8,12-13,15-17,22H,6,9-11,14H2,1-2H3
InChIKeyQDUZCOJCNHGOSP-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.74
Rot. Bonds6

About (3-cyclopropyl-1-phenylpyrazol-5-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone

(3-cyclopropyl-1-phenylpyrazol-5-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 17441475) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is (3-cyclopropyl-1-phenylpyrazol-5-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-1-phenylpyrazol-5-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID17441475
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name(3-cyclopropyl-1-phenylpyrazol-5-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(OC)c(C2CCCN2C(=O)c2cc(C3CC3)nn2-c2ccccc2)c1
InChIInChI=1S/C25H27N3O3/c1-30-19-12-13-24(31-2)20(15-19)22-9-6-14-27(22)25(29)23-16-21(17-10-11-17)26-28(23)18-7-4-3-5-8-18/h3-5,7-8,12-13,15-17,22H,6,9-11,14H2,1-2H3
InChIKeyQDUZCOJCNHGOSP-UHFFFAOYSA-N
XLogP4.74
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9327914
2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 17396066
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(2-iodo-3-methylphenyl)methanone
CID 55685739
(3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 9437858
3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 27167430
[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone
CID 94149807
[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone
CID 94149806
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(3-fluorophenyl)methanone
CID 43033960
1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 41250938
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 17427218
(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46493324
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 46525291

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-1-phenylpyrazol-5-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-cyclopropyl-1-phenylpyrazol-5-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone (CID 17441475) is (3-cyclopropyl-1-phenylpyrazol-5-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-1-phenylpyrazol-5-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-cyclopropyl-1-phenylpyrazol-5-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone is COc1ccc(OC)c(C2CCCN2C(=O)c2cc(C3CC3)nn2-c2ccccc2)c1.
What is the InChIKey of (3-cyclopropyl-1-phenylpyrazol-5-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is QDUZCOJCNHGOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-30-19-12-13-24(31-2)20(15-19)22-9-6-14-27(22)25(29)23-16-21(17-10-11-17)26-28(23)18-7-4-3-5-8-18/h3-5,7-8,12-13,15-17,22H,6,9-11,14H2,1-2H3.
What are the key properties of (3-cyclopropyl-1-phenylpyrazol-5-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 417.51 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-1-phenylpyrazol-5-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 17441475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).