N-[2-(4-chlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C19H25ClN4O — CID 120926251

IUPACN-[2-(4-chlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC(C)(CNC(=O)C1(n2cccn2)CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN4O/c1-18(2,15-4-6-16(20)7-5-15)14-22-17(25)19(8-11-21-12-9-19)24-13-3-10-23-24/h3-7,10,13,21H,8-9,11-12,14H2,1-2H3,(H,22,25)
InChIKeyZGWYPFCDWQLUCE-UHFFFAOYSA-N
MW360.89 g/mol
LogP2.71
Rot. Bonds5

About N-[2-(4-chlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[2-(4-chlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120926251) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120926251
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC NameN-[2-(4-chlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC(C)(CNC(=O)C1(n2cccn2)CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN4O/c1-18(2,15-4-6-16(20)7-5-15)14-22-17(25)19(8-11-21-12-9-19)24-13-3-10-23-24/h3-7,10,13,21H,8-9,11-12,14H2,1-2H3,(H,22,25)
InChIKeyZGWYPFCDWQLUCE-UHFFFAOYSA-N
XLogP2.71
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120926251) is N-[2-(4-chlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is CC(C)(CNC(=O)C1(n2cccn2)CCNCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is ZGWYPFCDWQLUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-18(2,15-4-6-16(20)7-5-15)14-22-17(25)19(8-11-21-12-9-19)24-13-3-10-23-24/h3-7,10,13,21H,8-9,11-12,14H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(4-chlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[2-(4-chlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 360.89 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120926251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).