4-pyrazol-1-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide

C20H24N6O — CID 120933172

IUPAC4-pyrazol-1-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1(n2cccn2)CCNCC1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C20H24N6O/c1-16(17-5-2-6-18(15-17)25-13-3-9-22-25)24-19(27)20(7-11-21-12-8-20)26-14-4-10-23-26/h2-6,9-10,13-16,21H,7-8,11-12H2,1H3,(H,24,27)
InChIKeyPDFRWCUDRVLJDO-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.02
Rot. Bonds5

About 4-pyrazol-1-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide

4-pyrazol-1-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 120933172) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID120933172
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name4-pyrazol-1-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1(n2cccn2)CCNCC1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C20H24N6O/c1-16(17-5-2-6-18(15-17)25-13-3-9-22-25)24-19(27)20(7-11-21-12-8-20)26-14-4-10-23-26/h2-6,9-10,13-16,21H,7-8,11-12H2,1H3,(H,24,27)
InChIKeyPDFRWCUDRVLJDO-UHFFFAOYSA-N
XLogP2.02
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3,4-dimethylphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923777
N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120930752
N-[1-(4-ethylphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918940
N-[1-(4-methyl-3-nitrophenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120937149
N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120934746
N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 175743985
N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924049
N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120928544
(2R)-2-methylsulfanyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95933671
3-amino-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501001
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924061
4-(aminomethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120933167

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 4-pyrazol-1-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide (CID 120933172) is 4-pyrazol-1-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-pyrazol-1-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 4-pyrazol-1-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide is CC(NC(=O)C1(n2cccn2)CCNCC1)c1cccc(-n2cccn2)c1.
What is the InChIKey of 4-pyrazol-1-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is PDFRWCUDRVLJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-16(17-5-2-6-18(15-17)25-13-3-9-22-25)24-19(27)20(7-11-21-12-8-20)26-14-4-10-23-26/h2-6,9-10,13-16,21H,7-8,11-12H2,1H3,(H,24,27).
What are the key properties of 4-pyrazol-1-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide?
4-pyrazol-1-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 120933172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).