3-(1,3-diphenylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)propanamide

C26H32N4O — CID 46295921

IUPAC3-(1,3-diphenylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)propanamide
SMILESO=C(CCc1cn(-c2ccccc2)nc1-c1ccccc1)NCCCN1CCCCC1
InChIInChI=1S/C26H32N4O/c31-25(27-17-10-20-29-18-8-3-9-19-29)16-15-23-21-30(24-13-6-2-7-14-24)28-26(23)22-11-4-1-5-12-22/h1-2,4-7,11-14,21H,3,8-10,15-20H2,(H,27,31)
InChIKeyHXUPGVWHUQEHMM-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.46
Rot. Bonds9

About 3-(1,3-diphenylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)propanamide

3-(1,3-diphenylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)propanamide (PubChem CID 46295921) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 3-(1,3-diphenylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(1,3-diphenylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)propanamide
PubChem CID46295921
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name3-(1,3-diphenylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)propanamide
SMILESO=C(CCc1cn(-c2ccccc2)nc1-c1ccccc1)NCCCN1CCCCC1
InChIInChI=1S/C26H32N4O/c31-25(27-17-10-20-29-18-8-3-9-19-29)16-15-23-21-30(24-13-6-2-7-14-24)28-26(23)22-11-4-1-5-12-22/h1-2,4-7,11-14,21H,3,8-10,15-20H2,(H,27,31)
InChIKeyHXUPGVWHUQEHMM-UHFFFAOYSA-N
XLogP4.46
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 46295814
N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide
CID 46295888
1-(azepan-1-yl)-3-(1,3-diphenylpyrazol-4-yl)propan-1-one
CID 46295896
N-[3-[cyclohexyl(methyl)amino]propyl]-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]propanamide
CID 46295820
3-(2-aminophenyl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 107272754
N-[3-[benzyl(methyl)amino]propyl]-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]propanamide
CID 46295810
5-(carbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]pentanamide
CID 31340751
N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide
CID 60606127
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 119109290
N-(3-morpholin-4-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide;hydrochloride
CID 2827797
N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]-4-(methylamino)butanamide
CID 119756780
2-chloro-N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]acetamide
CID 167935958

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-diphenylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)propanamide?
The IUPAC name of 3-(1,3-diphenylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)propanamide (CID 46295921) is 3-(1,3-diphenylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(1,3-diphenylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)propanamide?
The canonical SMILES for 3-(1,3-diphenylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)propanamide is O=C(CCc1cn(-c2ccccc2)nc1-c1ccccc1)NCCCN1CCCCC1.
What is the InChIKey of 3-(1,3-diphenylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)propanamide?
The InChIKey is HXUPGVWHUQEHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c31-25(27-17-10-20-29-18-8-3-9-19-29)16-15-23-21-30(24-13-6-2-7-14-24)28-26(23)22-11-4-1-5-12-22/h1-2,4-7,11-14,21H,3,8-10,15-20H2,(H,27,31).
What are the key properties of 3-(1,3-diphenylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)propanamide?
3-(1,3-diphenylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)propanamide has a molecular weight of 416.57 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-diphenylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)propanamide is sourced from PubChem (CID 46295921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).