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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Related Compounds

(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-[4-(propanoylamino)phenyl]ethyl]prop-2-enamide
CID 55675361
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CID 17445531
1-[4-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]phenyl]butan-1-one
CID 68722952
4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 53474364
2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-N-pyridin-3-ylacetamide
CID 26422896
N-[4-(cyclopentylmethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 56533831
N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 1087057
1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55969423
N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9300157
ethyl (E)-3-[4-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]phenyl]prop-2-enoate
CID 46649884
N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55901579
4-[4-[(4-methoxyanilino)methyl]-3-phenylpyrazol-1-yl]benzoic acid
CID 155808729

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).