[4-(3,5-dimethylpyrazol-1-yl)phenyl]-pyrrolidin-1-ylmethanone

C16H19N3O — CID 4862120

IUPAC[4-(3,5-dimethylpyrazol-1-yl)phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C16H19N3O/c1-12-11-13(2)19(17-12)15-7-5-14(6-8-15)16(20)18-9-3-4-10-18/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyJXRAWMQQMHYPKI-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.73
Rot. Bonds2

About [4-(3,5-dimethylpyrazol-1-yl)phenyl]-pyrrolidin-1-ylmethanone

[4-(3,5-dimethylpyrazol-1-yl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 4862120) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is [4-(3,5-dimethylpyrazol-1-yl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(3,5-dimethylpyrazol-1-yl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID4862120
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name[4-(3,5-dimethylpyrazol-1-yl)phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C16H19N3O/c1-12-11-13(2)19(17-12)15-7-5-14(6-8-15)16(20)18-9-3-4-10-18/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyJXRAWMQQMHYPKI-UHFFFAOYSA-N
XLogP2.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-pyrrolidin-1-ylmethanone (CID 4862120) is [4-(3,5-dimethylpyrazol-1-yl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(3,5-dimethylpyrazol-1-yl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(3,5-dimethylpyrazol-1-yl)phenyl]-pyrrolidin-1-ylmethanone is Cc1cc(C)n(-c2ccc(C(=O)N3CCCC3)cc2)n1.
What is the InChIKey of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is JXRAWMQQMHYPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-11-13(2)19(17-12)15-7-5-14(6-8-15)16(20)18-9-3-4-10-18/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-pyrrolidin-1-ylmethanone?
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 269.35 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethylpyrazol-1-yl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 4862120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).