N-[1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidin-4-yl]benzamide

C25H27ClN4O2 — CID 46576774

IUPACN-[1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidin-4-yl]benzamide
SMILESCC(C)c1c(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C25H27ClN4O2/c1-17(2)23-22(16-27-30(23)21-10-8-19(26)9-11-21)25(32)29-14-12-20(13-15-29)28-24(31)18-6-4-3-5-7-18/h3-11,16-17,20H,12-15H2,1-2H3,(H,28,31)
InChIKeyLBMMRZJBZSFAST-UHFFFAOYSA-N
MW450.97 g/mol
LogP4.68
Rot. Bonds5

About N-[1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidin-4-yl]benzamide

N-[1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidin-4-yl]benzamide (PubChem CID 46576774) has the molecular formula C25H27ClN4O2 and a molecular weight of 450.97 g/mol. Its IUPAC name is N-[1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidin-4-yl]benzamide
PubChem CID46576774
Molecular FormulaC25H27ClN4O2
Molecular Weight450.97 g/mol
Exact Mass450.18
IUPAC NameN-[1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidin-4-yl]benzamide
SMILESCC(C)c1c(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C25H27ClN4O2/c1-17(2)23-22(16-27-30(23)21-10-8-19(26)9-11-21)25(32)29-14-12-20(13-15-29)28-24(31)18-6-4-3-5-7-18/h3-11,16-17,20H,12-15H2,1-2H3,(H,28,31)
InChIKeyLBMMRZJBZSFAST-UHFFFAOYSA-N
XLogP4.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.97
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 34424786
N-(2-benzamidoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31839795
1-(3-chlorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-propan-2-ylpyrazole-4-carboxamide
CID 30855703
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110885879
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone
CID 46577742
2-[4-[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 30837385
N-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 38140397
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542302
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 46454828
4-chloro-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide
CID 108550166
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 110885866
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108564146

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidin-4-yl]benzamide (CID 46576774) is N-[1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidin-4-yl]benzamide is CC(C)c1c(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of N-[1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidin-4-yl]benzamide?
The InChIKey is LBMMRZJBZSFAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O2/c1-17(2)23-22(16-27-30(23)21-10-8-19(26)9-11-21)25(32)29-14-12-20(13-15-29)28-24(31)18-6-4-3-5-7-18/h3-11,16-17,20H,12-15H2,1-2H3,(H,28,31).
What are the key properties of N-[1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidin-4-yl]benzamide?
N-[1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidin-4-yl]benzamide has a molecular weight of 450.97 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46576774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).