5-chloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide

C21H28ClFN4O — CID 56684816

IUPAC5-chloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NC(C)CN1CC(C)CC(C)C1
InChIInChI=1S/C21H28ClFN4O/c1-13-9-14(2)11-26(10-13)12-15(3)24-21(28)19-16(4)25-27(20(19)22)18-7-5-17(23)6-8-18/h5-8,13-15H,9-12H2,1-4H3,(H,24,28)
InChIKeyCFBVYNNDKVJNOH-UHFFFAOYSA-N
MW406.93 g/mol
LogP4.07
Rot. Bonds5

About 5-chloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide

5-chloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide (PubChem CID 56684816) has the molecular formula C21H28ClFN4O and a molecular weight of 406.93 g/mol. Its IUPAC name is 5-chloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
PubChem CID56684816
Molecular FormulaC21H28ClFN4O
Molecular Weight406.93 g/mol
Exact Mass406.19
IUPAC Name5-chloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NC(C)CN1CC(C)CC(C)C1
InChIInChI=1S/C21H28ClFN4O/c1-13-9-14(2)11-26(10-13)12-15(3)24-21(28)19-16(4)25-27(20(19)22)18-7-5-17(23)6-8-18/h5-8,13-15H,9-12H2,1-4H3,(H,24,28)
InChIKeyCFBVYNNDKVJNOH-UHFFFAOYSA-N
XLogP4.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.93
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate
CID 7691017
4-chloro-N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-2-fluorobenzamide
CID 98726755
[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 27257536
N-(1-adamantylmethyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8923689
5-chloro-3-methyl-N-[(2S)-6-methylheptan-2-yl]-1-phenylpyrazole-4-carboxamide
CID 2569570
N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]pyrimidine-2-carboxamide
CID 95772449
2,4-dichloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-5-fluorobenzamide
CID 60573604
N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 100840039
1-(4-fluorophenyl)-N-[(2R)-1-methoxypropan-2-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 29354852
5-chloro-1-(4-fluorophenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
CID 30823116
N-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8701464
[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 27660722

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide (CID 56684816) is 5-chloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide is Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NC(C)CN1CC(C)CC(C)C1.
What is the InChIKey of 5-chloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is CFBVYNNDKVJNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClFN4O/c1-13-9-14(2)11-26(10-13)12-15(3)24-21(28)19-16(4)25-27(20(19)22)18-7-5-17(23)6-8-18/h5-8,13-15H,9-12H2,1-4H3,(H,24,28).
What are the key properties of 5-chloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide?
5-chloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 406.93 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 56684816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).