1-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-N-pentylpiperidine-4-carboxamide

C24H33ClN4O2 — CID 55837609

IUPAC1-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)CC1
InChIInChI=1S/C24H33ClN4O2/c1-4-5-6-13-26-23(30)20-11-14-28(15-12-20)24(31)21-18(3)27-29(22(21)25)16-19-9-7-17(2)8-10-19/h7-10,20H,4-6,11-16H2,1-3H3,(H,26,30)
InChIKeyPTVNBTFUIFISQX-UHFFFAOYSA-N
MW445.01 g/mol
LogP4.36
Rot. Bonds8

About 1-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-N-pentylpiperidine-4-carboxamide

1-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-N-pentylpiperidine-4-carboxamide (PubChem CID 55837609) has the molecular formula C24H33ClN4O2 and a molecular weight of 445.01 g/mol. Its IUPAC name is 1-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-N-pentylpiperidine-4-carboxamide
PubChem CID55837609
Molecular FormulaC24H33ClN4O2
Molecular Weight445.01 g/mol
Exact Mass444.23
IUPAC Name1-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)CC1
InChIInChI=1S/C24H33ClN4O2/c1-4-5-6-13-26-23(30)20-11-14-28(15-12-20)24(31)21-18(3)27-29(22(21)25)16-19-9-7-17(2)8-10-19/h7-10,20H,4-6,11-16H2,1-3H3,(H,26,30)
InChIKeyPTVNBTFUIFISQX-UHFFFAOYSA-N
XLogP4.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.01
LogP ≤ 54.36
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

[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 78774100
1-[(4-methylphenyl)carbamothioyl]-N-pentylpiperidine-4-carboxamide
CID 43076522
[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769617
5-chloro-1-[(4-fluorophenyl)methyl]-N-hexyl-3-methylpyrazole-4-carboxamide
CID 32647072
1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide
CID 119287815
2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide
CID 134014653
methyl 1-[2-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]oxyacetyl]piperidine-4-carboxylate
CID 41225686
N-butyl-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-4-carboxamide
CID 78865229
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
CID 46533344
1-(4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carbonyl)-N-pentylpiperidine-4-carboxamide
CID 55819489
8-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 55472623
1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-pentylpiperidine-4-carboxamide
CID 39938186

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-N-pentylpiperidine-4-carboxamide (CID 55837609) is 1-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(C(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)CC1.
What is the InChIKey of 1-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-N-pentylpiperidine-4-carboxamide?
The InChIKey is PTVNBTFUIFISQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN4O2/c1-4-5-6-13-26-23(30)20-11-14-28(15-12-20)24(31)21-18(3)27-29(22(21)25)16-19-9-7-17(2)8-10-19/h7-10,20H,4-6,11-16H2,1-3H3,(H,26,30).
What are the key properties of 1-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-N-pentylpiperidine-4-carboxamide?
1-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-N-pentylpiperidine-4-carboxamide has a molecular weight of 445.01 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 55837609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).