4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide

C25H29ClN4O — CID 92767994

IUPAC4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
SMILESC[C@H]1CCCCN1CCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1
InChIInChI=1S/C25H29ClN4O/c1-18-5-2-3-15-30(18)16-4-14-27-25(31)21-8-6-19(7-9-21)23-17-24(29-28-23)20-10-12-22(26)13-11-20/h6-13,17-18H,2-5,14-16H2,1H3,(H,27,31)(H,28,29)/t18-/m0/s1
InChIKeyAJTURDGWMCWAPP-SFHVURJKSA-N
MW436.99 g/mol
LogP5.39
Rot. Bonds7

About 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide

4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide (PubChem CID 92767994) has the molecular formula C25H29ClN4O and a molecular weight of 436.99 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
PubChem CID92767994
Molecular FormulaC25H29ClN4O
Molecular Weight436.99 g/mol
Exact Mass436.20
IUPAC Name4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
SMILESC[C@H]1CCCCN1CCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1
InChIInChI=1S/C25H29ClN4O/c1-18-5-2-3-15-30(18)16-4-14-27-25(31)21-8-6-19(7-9-21)23-17-24(29-28-23)20-10-12-22(26)13-11-20/h6-13,17-18H,2-5,14-16H2,1H3,(H,27,31)(H,28,29)/t18-/m0/s1
InChIKeyAJTURDGWMCWAPP-SFHVURJKSA-N
XLogP5.39
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.99
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
N-[3-(2-methylpiperidin-1-yl)propyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098882
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-methylsulfanylbenzamide
CID 9473480
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-methylsulfonylbenzamide
CID 9473048
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-pyrazol-1-ylbenzamide
CID 9473184
4-cyano-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472553
N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115795
4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472549
4-chloro-N-[(2-methylpiperidin-1-yl)methyl]benzamide
CID 21230989

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide?
The IUPAC name of 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide (CID 92767994) is 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide is C[C@H]1CCCCN1CCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide?
The InChIKey is AJTURDGWMCWAPP-SFHVURJKSA-N. The full InChI is InChI=1S/C25H29ClN4O/c1-18-5-2-3-15-30(18)16-4-14-27-25(31)21-8-6-19(7-9-21)23-17-24(29-28-23)20-10-12-22(26)13-11-20/h6-13,17-18H,2-5,14-16H2,1H3,(H,27,31)(H,28,29)/t18-/m0/s1.
What are the key properties of 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide?
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide has a molecular weight of 436.99 g/mol, XLogP of 5.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 92767994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).