N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

C22H26N4O2 — CID 24817530

IUPACN-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCCc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3)CC2)o1
InChIInChI=1S/C22H26N4O2/c1-2-19-8-9-20(28-19)16-25-14-11-18(12-15-25)26-21(10-13-23-26)24-22(27)17-6-4-3-5-7-17/h3-10,13,18H,2,11-12,14-16H2,1H3,(H,24,27)
InChIKeyCKSBEIOUHYBMRK-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.13
Rot. Bonds6

About N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24817530) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24817530
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCCc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3)CC2)o1
InChIInChI=1S/C22H26N4O2/c1-2-19-8-9-20(28-19)16-25-14-11-18(12-15-25)26-21(10-13-23-26)24-22(27)17-6-4-3-5-7-17/h3-10,13,18H,2,11-12,14-16H2,1H3,(H,24,27)
InChIKeyCKSBEIOUHYBMRK-UHFFFAOYSA-N
XLogP4.13
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[11-Ethyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),3,7,9-tetraen-7-yl]-3-(4-methylphenyl)urea
CID 44413359
N-[1-[(4-fluorophenyl)methyl]-3-pyrazolyl]-5-methyl-2-furancarboxamide
CID 841204
N-(2-furylmethyl)-5-[(4-methylbenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxamide
CID 1037536
N-(2-furylmethyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 659919
N-[1-[1-(3-Furanylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl]-2-methoxybenzamide
CID 24790587
[7-(1-Benzofuran-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135843981
[5-(4-Fluorophenyl)furan-2-yl]methyl-[(2-pyrazol-1-ylpyridin-3-yl)methyl]azanium
CID 38052390
N-(furan-2-ylmethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 646398
N-Furan-2-ylmethyl-2-(4-oxo-1-p-tolyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetamide
CID 646968
5-(2-furoylamino)-N-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 653788
N-[2-phenyl-4-(piperidine-1-carbonyl)pyrazol-3-yl]furan-2-carboxamide
CID 1067684
N-{1-[1-(2-ethoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide
CID 24790124

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24817530) is N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is CCc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3)CC2)o1.
What is the InChIKey of N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is CKSBEIOUHYBMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-2-19-8-9-20(28-19)16-25-14-11-18(12-15-25)26-21(10-13-23-26)24-22(27)17-6-4-3-5-7-17/h3-10,13,18H,2,11-12,14-16H2,1H3,(H,24,27).
What are the key properties of N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 378.48 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24817530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).