N-[4-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]phenyl]propanamide

C24H23N5O — CID 154835621

IUPACN-[4-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCc2cn(-c3ccccc3)nc2-c2cccnc2)cc1
InChIInChI=1S/C24H23N5O/c1-2-23(30)27-21-12-10-20(11-13-21)26-16-19-17-29(22-8-4-3-5-9-22)28-24(19)18-7-6-14-25-15-18/h3-15,17,26H,2,16H2,1H3,(H,27,30)
InChIKeyMDUAVNWCRHBQMO-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.89
Rot. Bonds7

About N-[4-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]phenyl]propanamide

N-[4-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]phenyl]propanamide (PubChem CID 154835621) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[4-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]phenyl]propanamide
PubChem CID154835621
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-[4-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCc2cn(-c3ccccc3)nc2-c2cccnc2)cc1
InChIInChI=1S/C24H23N5O/c1-2-23(30)27-21-12-10-20(11-13-21)26-16-19-17-29(22-8-4-3-5-9-22)28-24(19)18-7-6-14-25-15-18/h3-15,17,26H,2,16H2,1H3,(H,27,30)
InChIKeyMDUAVNWCRHBQMO-UHFFFAOYSA-N
XLogP4.89
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]phenyl]propanamide?
The IUPAC name of N-[4-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]phenyl]propanamide (CID 154835621) is N-[4-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]phenyl]propanamide.
What is the SMILES notation for N-[4-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]phenyl]propanamide?
The canonical SMILES for N-[4-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]phenyl]propanamide is CCC(=O)Nc1ccc(NCc2cn(-c3ccccc3)nc2-c2cccnc2)cc1.
What is the InChIKey of N-[4-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]phenyl]propanamide?
The InChIKey is MDUAVNWCRHBQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-2-23(30)27-21-12-10-20(11-13-21)26-16-19-17-29(22-8-4-3-5-9-22)28-24(19)18-7-6-14-25-15-18/h3-15,17,26H,2,16H2,1H3,(H,27,30).
What are the key properties of N-[4-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]phenyl]propanamide?
N-[4-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]phenyl]propanamide has a molecular weight of 397.48 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]phenyl]propanamide is sourced from PubChem (CID 154835621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).