4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide

C22H31ClN4O — CID 55716610

IUPAC4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide
SMILESCc1nn(-c2ccc(C(=O)NCCCCN3CCC(C)CC3)cc2)c(C)c1Cl
InChIInChI=1S/C22H31ClN4O/c1-16-10-14-26(15-11-16)13-5-4-12-24-22(28)19-6-8-20(9-7-19)27-18(3)21(23)17(2)25-27/h6-9,16H,4-5,10-15H2,1-3H3,(H,24,28)
InChIKeyUAGSRVGOJDUDNW-UHFFFAOYSA-N
MW402.97 g/mol
LogP4.38
Rot. Bonds7

About 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide (PubChem CID 55716610) has the molecular formula C22H31ClN4O and a molecular weight of 402.97 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide
PubChem CID55716610
Molecular FormulaC22H31ClN4O
Molecular Weight402.97 g/mol
Exact Mass402.22
IUPAC Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide
SMILESCc1nn(-c2ccc(C(=O)NCCCCN3CCC(C)CC3)cc2)c(C)c1Cl
InChIInChI=1S/C22H31ClN4O/c1-16-10-14-26(15-11-16)13-5-4-12-24-22(28)19-6-8-20(9-7-19)27-18(3)21(23)17(2)25-27/h6-9,16H,4-5,10-15H2,1-3H3,(H,24,28)
InChIKeyUAGSRVGOJDUDNW-UHFFFAOYSA-N
XLogP4.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.97
LogP ≤ 54.38
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

N-[3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 35417488
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide
CID 60552295
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33138536
4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 81295151
4-[(4-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 92682310
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 92672834
4-(cyclopropylsulfamoyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 18150983
6-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1-phenylpyridazine-3-carboxamide
CID 35417792
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide
CID 30541274
N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 100628883
4-[2-(methanesulfonamido)ethyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 30541364
7-chloro-N-[4-(4-methylpiperidin-1-yl)butyl]-1,3-benzodioxole-5-carboxamide
CID 55716363

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide?
The IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide (CID 55716610) is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide?
The canonical SMILES for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide is Cc1nn(-c2ccc(C(=O)NCCCCN3CCC(C)CC3)cc2)c(C)c1Cl.
What is the InChIKey of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide?
The InChIKey is UAGSRVGOJDUDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31ClN4O/c1-16-10-14-26(15-11-16)13-5-4-12-24-22(28)19-6-8-20(9-7-19)27-18(3)21(23)17(2)25-27/h6-9,16H,4-5,10-15H2,1-3H3,(H,24,28).
What are the key properties of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide?
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide has a molecular weight of 402.97 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide is sourced from PubChem (CID 55716610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).