[4-(1,3-dimethylpyrazol-4-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone

C19H23N3O — CID 122570111

IUPAC[4-(1,3-dimethylpyrazol-4-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone
SMILESCc1nn(C)cc1-c1ccc(C(=O)N2CC=CC2C(C)C)cc1
InChIInChI=1S/C19H23N3O/c1-13(2)18-6-5-11-22(18)19(23)16-9-7-15(8-10-16)17-12-21(4)20-14(17)3/h5-10,12-13,18H,11H2,1-4H3
InChIKeyMMOYFJCQMSMAGX-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.43
Rot. Bonds3

About [4-(1,3-dimethylpyrazol-4-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone

[4-(1,3-dimethylpyrazol-4-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone (PubChem CID 122570111) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is [4-(1,3-dimethylpyrazol-4-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone.

Molecular Properties

Compound Name[4-(1,3-dimethylpyrazol-4-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone
PubChem CID122570111
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name[4-(1,3-dimethylpyrazol-4-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone
SMILESCc1nn(C)cc1-c1ccc(C(=O)N2CC=CC2C(C)C)cc1
InChIInChI=1S/C19H23N3O/c1-13(2)18-6-5-11-22(18)19(23)16-9-7-15(8-10-16)17-12-21(4)20-14(17)3/h5-10,12-13,18H,11H2,1-4H3
InChIKeyMMOYFJCQMSMAGX-UHFFFAOYSA-N
XLogP3.43
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-dimethylpyrazol-4-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone?
The IUPAC name of [4-(1,3-dimethylpyrazol-4-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone (CID 122570111) is [4-(1,3-dimethylpyrazol-4-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone.
What is the SMILES notation for [4-(1,3-dimethylpyrazol-4-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone?
The canonical SMILES for [4-(1,3-dimethylpyrazol-4-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone is Cc1nn(C)cc1-c1ccc(C(=O)N2CC=CC2C(C)C)cc1.
What is the InChIKey of [4-(1,3-dimethylpyrazol-4-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone?
The InChIKey is MMOYFJCQMSMAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-13(2)18-6-5-11-22(18)19(23)16-9-7-15(8-10-16)17-12-21(4)20-14(17)3/h5-10,12-13,18H,11H2,1-4H3.
What are the key properties of [4-(1,3-dimethylpyrazol-4-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone?
[4-(1,3-dimethylpyrazol-4-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone has a molecular weight of 309.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dimethylpyrazol-4-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone is sourced from PubChem (CID 122570111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).