N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide

C15H17IN4O — CID 120917303

IUPACN-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(I)cc1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C15H17IN4O/c16-12-2-4-13(5-3-12)19-14(21)15(6-9-17-10-7-15)20-11-1-8-18-20/h1-5,8,11,17H,6-7,9-10H2,(H,19,21)
InChIKeyLJBFADDXTZKTKB-UHFFFAOYSA-N
MW396.23 g/mol
LogP2.21
Rot. Bonds3

About N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide

N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120917303) has the molecular formula C15H17IN4O and a molecular weight of 396.23 g/mol. Its IUPAC name is N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120917303
Molecular FormulaC15H17IN4O
Molecular Weight396.23 g/mol
Exact Mass396.04
IUPAC NameN-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(I)cc1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C15H17IN4O/c16-12-2-4-13(5-3-12)19-14(21)15(6-9-17-10-7-15)20-11-1-8-18-20/h1-5,8,11,17H,6-7,9-10H2,(H,19,21)
InChIKeyLJBFADDXTZKTKB-UHFFFAOYSA-N
XLogP2.21
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.23
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120934450
N-[4-(azepane-1-carbonyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926534
N-(3-chloro-4-pyrazol-1-ylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930811
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919261
N-[4-(2,2-difluoroethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120935836
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919934
N-(2-hydroxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120943007
N-(1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921174
4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120920544

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120917303) is N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide is O=C(Nc1ccc(I)cc1)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is LJBFADDXTZKTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN4O/c16-12-2-4-13(5-3-12)19-14(21)15(6-9-17-10-7-15)20-11-1-8-18-20/h1-5,8,11,17H,6-7,9-10H2,(H,19,21).
What are the key properties of N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 396.23 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120917303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).