N-(3-chloro-5-fluorophenyl)-4-pyrazol-1-ylpiperidine-1-carboxamide

C15H16ClFN4O — CID 84588159

IUPACN-(3-chloro-5-fluorophenyl)-4-pyrazol-1-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)N1CCC(n2cccn2)CC1
InChIInChI=1S/C15H16ClFN4O/c16-11-8-12(17)10-13(9-11)19-15(22)20-6-2-14(3-7-20)21-5-1-4-18-21/h1,4-5,8-10,14H,2-3,6-7H2,(H,19,22)
InChIKeyXRBSDYKDXYVMTC-UHFFFAOYSA-N
MW322.77 g/mol
LogP3.54
Rot. Bonds2

About N-(3-chloro-5-fluorophenyl)-4-pyrazol-1-ylpiperidine-1-carboxamide

N-(3-chloro-5-fluorophenyl)-4-pyrazol-1-ylpiperidine-1-carboxamide (PubChem CID 84588159) has the molecular formula C15H16ClFN4O and a molecular weight of 322.77 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-4-pyrazol-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-4-pyrazol-1-ylpiperidine-1-carboxamide
PubChem CID84588159
Molecular FormulaC15H16ClFN4O
Molecular Weight322.77 g/mol
Exact Mass322.10
IUPAC NameN-(3-chloro-5-fluorophenyl)-4-pyrazol-1-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)N1CCC(n2cccn2)CC1
InChIInChI=1S/C15H16ClFN4O/c16-11-8-12(17)10-13(9-11)19-15(22)20-6-2-14(3-7-20)21-5-1-4-18-21/h1,4-5,8-10,14H,2-3,6-7H2,(H,19,22)
InChIKeyXRBSDYKDXYVMTC-UHFFFAOYSA-N
XLogP3.54
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 103774793
N-(3-chloro-5-fluorophenyl)azepane-1-carboxamide
CID 103774779
N-(3,5-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 113223015
N-[4-(dimethylamino)-2,6-dimethylphenyl]-4-pyrazol-1-ylpiperidine-1-carboxamide
CID 71967691
2-[1-[(3-chloro-5-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 107368637
N-(3-chlorophenyl)-3-(triazol-2-yl)pyrrolidine-1-carboxamide
CID 121178780
(3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide
CID 107654257
N-(3-bicyclo[3.1.0]hexanyl)-3-pyrazol-1-ylpyrrolidine-1-carboxamide
CID 128915883
N-(3-chloro-5-fluorophenyl)-4-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23072136
4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide
CID 113110558
(2-amino-3-chlorophenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110451467
4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110667169

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-4-pyrazol-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-4-pyrazol-1-ylpiperidine-1-carboxamide (CID 84588159) is N-(3-chloro-5-fluorophenyl)-4-pyrazol-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-4-pyrazol-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-4-pyrazol-1-ylpiperidine-1-carboxamide is O=C(Nc1cc(F)cc(Cl)c1)N1CCC(n2cccn2)CC1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-4-pyrazol-1-ylpiperidine-1-carboxamide?
The InChIKey is XRBSDYKDXYVMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4O/c16-11-8-12(17)10-13(9-11)19-15(22)20-6-2-14(3-7-20)21-5-1-4-18-21/h1,4-5,8-10,14H,2-3,6-7H2,(H,19,22).
What are the key properties of N-(3-chloro-5-fluorophenyl)-4-pyrazol-1-ylpiperidine-1-carboxamide?
N-(3-chloro-5-fluorophenyl)-4-pyrazol-1-ylpiperidine-1-carboxamide has a molecular weight of 322.77 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-4-pyrazol-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 84588159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).