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

C22H26N4O2 — CID 24793147

IUPAC2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)o1
InChIInChI=1S/C22H26N4O2/c1-16-5-3-4-6-20(16)22(27)24-21-9-12-23-26(21)18-10-13-25(14-11-18)15-19-8-7-17(2)28-19/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,24,27)
InChIKeySIGVVSAXPKWCPL-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.18
Rot. Bonds5

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

2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24793147) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24793147
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)o1
InChIInChI=1S/C22H26N4O2/c1-16-5-3-4-6-20(16)22(27)24-21-9-12-23-26(21)18-10-13-25(14-11-18)15-19-8-7-17(2)28-19/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,24,27)
InChIKeySIGVVSAXPKWCPL-UHFFFAOYSA-N
XLogP4.18
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(furan-2-ylmethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 646398
2-(1-(3,4-dimethylphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-(furan-2-ylmethyl)acetamide
CID 5310133
N-{1-[1-(3-cyclopentylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxybenzamide
CID 24790322
2-methoxy-N-(1-{1-[(5-methyl-2-furyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-phenylacetamide
CID 24790583
N-{1-[1-(4-ethoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxybenzamide
CID 24791108
4-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24791316
N-{1-[1-(3-methoxybenzoyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-phenoxypropanamide
CID 24791326
N-(1-{1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 24793126
2-methoxy-N-(1-{1-[3-(5-methyl-2-furyl)butyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24793127

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24793147) is 2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is Cc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)o1.
What is the InChIKey of 2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is SIGVVSAXPKWCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16-5-3-4-6-20(16)22(27)24-21-9-12-23-26(21)18-10-13-25(14-11-18)15-19-8-7-17(2)28-19/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,24,27).
What are the key properties of 2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 378.48 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24793147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).