[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone

C24H27N3O2 — CID 95249369

IUPAC[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccccc1[C@H]1CCCN1C(=O)c1ccc(Cn2nc(C)cc2C)cc1
InChIInChI=1S/C24H27N3O2/c1-17-15-18(2)27(25-17)16-19-10-12-20(13-11-19)24(28)26-14-6-8-22(26)21-7-4-5-9-23(21)29-3/h4-5,7,9-13,15,22H,6,8,14,16H2,1-3H3/t22-/m1/s1
InChIKeyYKVHNZZEMUXPKW-JOCHJYFZSA-N
MW389.50 g/mol
LogP4.53
Rot. Bonds5

About [4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone

[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 95249369) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is [4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID95249369
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccccc1[C@H]1CCCN1C(=O)c1ccc(Cn2nc(C)cc2C)cc1
InChIInChI=1S/C24H27N3O2/c1-17-15-18(2)27(25-17)16-19-10-12-20(13-11-19)24(28)26-14-6-8-22(26)21-7-4-5-9-23(21)29-3/h4-5,7,9-13,15,22H,6,8,14,16H2,1-3H3/t22-/m1/s1
InChIKeyYKVHNZZEMUXPKW-JOCHJYFZSA-N
XLogP4.53
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)phenyl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 119316524
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-[(2-methoxyphenoxy)methyl]phenyl]methanone
CID 166659093
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyphenyl)benzamide
CID 48980458
2-chloro-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 176997579
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 49013956
(3,4-dimethoxyphenyl)-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856046
2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119195995
(4-benzylpiperidin-1-yl)-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
CID 99289952
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
CID 98470572
[4-(diethylaminomethyl)phenyl]-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46430611
[2-(2-methoxyphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone
CID 50983477
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 111105286

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 95249369) is [4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(Cn2nc(C)cc2C)cc1.
What is the InChIKey of [4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is YKVHNZZEMUXPKW-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17-15-18(2)27(25-17)16-19-10-12-20(13-11-19)24(28)26-14-6-8-22(26)21-7-4-5-9-23(21)29-3/h4-5,7,9-13,15,22H,6,8,14,16H2,1-3H3/t22-/m1/s1.
What are the key properties of [4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 389.50 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95249369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).