2-[4-[1-(4-propan-2-ylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]propanamide

C20H26N4O — CID 50953457

IUPAC2-[4-[1-(4-propan-2-ylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]propanamide
SMILESCC(C)c1ccc(-n2cc(C3=CCN(C(C)C(N)=O)CC3)cn2)cc1
InChIInChI=1S/C20H26N4O/c1-14(2)16-4-6-19(7-5-16)24-13-18(12-22-24)17-8-10-23(11-9-17)15(3)20(21)25/h4-8,12-15H,9-11H2,1-3H3,(H2,21,25)
InChIKeyLHTJLEWZUNAZKX-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.96
Rot. Bonds5

About 2-[4-[1-(4-propan-2-ylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]propanamide

2-[4-[1-(4-propan-2-ylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]propanamide (PubChem CID 50953457) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-[4-[1-(4-propan-2-ylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-[1-(4-propan-2-ylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]propanamide
PubChem CID50953457
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name2-[4-[1-(4-propan-2-ylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]propanamide
SMILESCC(C)c1ccc(-n2cc(C3=CCN(C(C)C(N)=O)CC3)cn2)cc1
InChIInChI=1S/C20H26N4O/c1-14(2)16-4-6-19(7-5-16)24-13-18(12-22-24)17-8-10-23(11-9-17)15(3)20(21)25/h4-8,12-15H,9-11H2,1-3H3,(H2,21,25)
InChIKeyLHTJLEWZUNAZKX-UHFFFAOYSA-N
XLogP2.96
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-propan-2-ylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The IUPAC name of 2-[4-[1-(4-propan-2-ylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]propanamide (CID 50953457) is 2-[4-[1-(4-propan-2-ylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]propanamide.
What is the SMILES notation for 2-[4-[1-(4-propan-2-ylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The canonical SMILES for 2-[4-[1-(4-propan-2-ylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]propanamide is CC(C)c1ccc(-n2cc(C3=CCN(C(C)C(N)=O)CC3)cn2)cc1.
What is the InChIKey of 2-[4-[1-(4-propan-2-ylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The InChIKey is LHTJLEWZUNAZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14(2)16-4-6-19(7-5-16)24-13-18(12-22-24)17-8-10-23(11-9-17)15(3)20(21)25/h4-8,12-15H,9-11H2,1-3H3,(H2,21,25).
What are the key properties of 2-[4-[1-(4-propan-2-ylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]propanamide?
2-[4-[1-(4-propan-2-ylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]propanamide has a molecular weight of 338.46 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-propan-2-ylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]propanamide is sourced from PubChem (CID 50953457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).