(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C15H23N3O — CID 118777150

IUPAC(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCN(C(=O)c2c(C)nn(C(C)C)c2C)CC1
InChIInChI=1S/C15H23N3O/c1-10(2)18-13(5)14(12(4)16-18)15(19)17-8-6-11(3)7-9-17/h6,10H,7-9H2,1-5H3
InChIKeyHFRANFBRVRVNQZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.87
Rot. Bonds2

About (3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 118777150) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID118777150
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCN(C(=O)c2c(C)nn(C(C)C)c2C)CC1
InChIInChI=1S/C15H23N3O/c1-10(2)18-13(5)14(12(4)16-18)15(19)17-8-6-11(3)7-9-17/h6,10H,7-9H2,1-5H3
InChIKeyHFRANFBRVRVNQZ-UHFFFAOYSA-N
XLogP2.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.87
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 (3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 118777150) is (3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is CC1=CCN(C(=O)c2c(C)nn(C(C)C)c2C)CC1.
What is the InChIKey of (3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is HFRANFBRVRVNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10(2)18-13(5)14(12(4)16-18)15(19)17-8-6-11(3)7-9-17/h6,10H,7-9H2,1-5H3.
What are the key properties of (3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 261.37 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 118777150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).