N-[2-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide

C20H24ClFN4O2 — CID 24790250

IUPACN-[2-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccnn1C1CCN(C(=O)c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C20H24ClFN4O2/c1-20(2,3)19(28)24-17-6-9-23-26(17)14-7-10-25(11-8-14)18(27)15-5-4-13(21)12-16(15)22/h4-6,9,12,14H,7-8,10-11H2,1-3H3,(H,24,28)
InChIKeyOXIGCDZPZDVSIT-UHFFFAOYSA-N
MW406.89 g/mol
LogP4.14
Rot. Bonds3

About N-[2-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide

N-[2-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide (PubChem CID 24790250) has the molecular formula C20H24ClFN4O2 and a molecular weight of 406.89 g/mol. Its IUPAC name is N-[2-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
PubChem CID24790250
Molecular FormulaC20H24ClFN4O2
Molecular Weight406.89 g/mol
Exact Mass406.16
IUPAC NameN-[2-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccnn1C1CCN(C(=O)c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C20H24ClFN4O2/c1-20(2,3)19(28)24-17-6-9-23-26(17)14-7-10-25(11-8-14)18(27)15-5-4-13(21)12-16(15)22/h4-6,9,12,14H,7-8,10-11H2,1-3H3,(H,24,28)
InChIKeyOXIGCDZPZDVSIT-UHFFFAOYSA-N
XLogP4.14
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Bms-394136
CID 135446049
1-tert-butyl-6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-5-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 154699442
4-Chloro-N-cyclopropyl-3-(1-(2,6-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 25119291
4-Chloro-n-cyclopropyl-3-((1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1h-pyrazolo[3,4-b]pyridin-4-yl)amino)benzamide
CID 25270849
4-chloro-N-cyclopropyl-3-(1-(2,6-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-ylamino)benzamide
CID 25270850
4-chloro-N-cyclopropyl-3-(7-ethyl-1-(4-fluorophenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-ylamino)benzamide
CID 45268375
4-chloro-N-cyclopropyl-3-(1-(2,4-difluorophenyl)-7-ethyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-ylamino)benzamide
CID 45271770
5-benzyl-6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
CID 156013087
4-chloro-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 16619202
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560401
CID 135443450
CID 135443450
[7-(3-Chlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135450037

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide (CID 24790250) is N-[2-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccnn1C1CCN(C(=O)c2ccc(Cl)cc2F)CC1.
What is the InChIKey of N-[2-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide?
The InChIKey is OXIGCDZPZDVSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN4O2/c1-20(2,3)19(28)24-17-6-9-23-26(17)14-7-10-25(11-8-14)18(27)15-5-4-13(21)12-16(15)22/h4-6,9,12,14H,7-8,10-11H2,1-3H3,(H,24,28).
What are the key properties of N-[2-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide?
N-[2-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide has a molecular weight of 406.89 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 24790250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).