4-[1-(4-chloro-2-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazol-5-amine

C16H20ClFN4 — CID 156503629

IUPAC4-[1-(4-chloro-2-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(N)c1C1CCN(c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C16H20ClFN4/c1-10-15(16(19)21(2)20-10)11-5-7-22(8-6-11)14-4-3-12(17)9-13(14)18/h3-4,9,11H,5-8,19H2,1-2H3
InChIKeyDLNGUXIMVUEIRY-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.49
Rot. Bonds2

About 4-[1-(4-chloro-2-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazol-5-amine

4-[1-(4-chloro-2-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazol-5-amine (PubChem CID 156503629) has the molecular formula C16H20ClFN4 and a molecular weight of 322.82 g/mol. Its IUPAC name is 4-[1-(4-chloro-2-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[1-(4-chloro-2-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazol-5-amine
PubChem CID156503629
Molecular FormulaC16H20ClFN4
Molecular Weight322.82 g/mol
Exact Mass322.14
IUPAC Name4-[1-(4-chloro-2-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(N)c1C1CCN(c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C16H20ClFN4/c1-10-15(16(19)21(2)20-10)11-5-7-22(8-6-11)14-4-3-12(17)9-13(14)18/h3-4,9,11H,5-8,19H2,1-2H3
InChIKeyDLNGUXIMVUEIRY-UHFFFAOYSA-N
XLogP3.49
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-1-methyl-1,2,4-triazol-3-amine
CID 156503673
1-(4-chloro-2-fluorophenyl)piperidine-4-carboxylic acid
CID 156503762
5-[1-(4-chloro-2-fluorophenyl)piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-amine
CID 156503641
1-(4-chloro-2-fluorophenyl)piperazine
CID 2783123
1-(4-chloro-2-fluorophenyl)-N-(1-methylisoquinolin-5-yl)piperidine-4-carboxamide
CID 11560343
4-[5-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-yl]-1-N,1-N-dimethylcyclohexa-1,5-diene-1,4-disulfonamide
CID 175797493
4-(4-chloro-2-fluorophenyl)-1-[2-(4-methylphenyl)sulfonylphenyl]piperidine
CID 156503555
1-N-[5-[1-(4-chloro-2-fluorophenyl)piperidin-4-yl]-1,3,4-thiadiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 165388884
4-(4-chloro-2-fluorophenyl)-1-[2-(2-methylphenyl)sulfonylphenyl]piperidine
CID 165388916
6-(5-chloro-2-fluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79297631
2-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]ethanamine
CID 82298380
1-[3-fluoro-4-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]phenyl]-1,2,4-triazole-3,5-diamine
CID 66694821

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chloro-2-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-[1-(4-chloro-2-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazol-5-amine (CID 156503629) is 4-[1-(4-chloro-2-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-[1-(4-chloro-2-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-[1-(4-chloro-2-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazol-5-amine is Cc1nn(C)c(N)c1C1CCN(c2ccc(Cl)cc2F)CC1.
What is the InChIKey of 4-[1-(4-chloro-2-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazol-5-amine?
The InChIKey is DLNGUXIMVUEIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN4/c1-10-15(16(19)21(2)20-10)11-5-7-22(8-6-11)14-4-3-12(17)9-13(14)18/h3-4,9,11H,5-8,19H2,1-2H3.
What are the key properties of 4-[1-(4-chloro-2-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazol-5-amine?
4-[1-(4-chloro-2-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazol-5-amine has a molecular weight of 322.82 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chloro-2-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 156503629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).