N-(2-cyclopentylpyrazol-3-yl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide

C22H26N4O3 — CID 86911076

IUPACN-(2-cyclopentylpyrazol-3-yl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide
SMILESO=C(CN(Cc1ccco1)Cc1ccccc1O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C22H26N4O3/c27-20-10-4-1-6-17(20)14-25(15-19-9-5-13-29-19)16-22(28)24-21-11-12-23-26(21)18-7-2-3-8-18/h1,4-6,9-13,18,27H,2-3,7-8,14-16H2,(H,24,28)
InChIKeyZMRNCKPZCTZZJO-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.94
Rot. Bonds8

About N-(2-cyclopentylpyrazol-3-yl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide

N-(2-cyclopentylpyrazol-3-yl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide (PubChem CID 86911076) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide
PubChem CID86911076
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide
SMILESO=C(CN(Cc1ccco1)Cc1ccccc1O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C22H26N4O3/c27-20-10-4-1-6-17(20)14-25(15-19-9-5-13-29-19)16-22(28)24-21-11-12-23-26(21)18-7-2-3-8-18/h1,4-6,9-13,18,27H,2-3,7-8,14-16H2,(H,24,28)
InChIKeyZMRNCKPZCTZZJO-UHFFFAOYSA-N
XLogP3.94
TPSA83.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-(1-{1-[(5-methyl-2-furyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-phenylacetamide
CID 24790583
2-methyl-N-(1-{1-[(5-methyl-2-furyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24793147
N-[2-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24816896
N-[1-(1-{[5-(hydroxymethyl)-2-furyl]methyl}-4-piperidinyl)-1H-pyrazol-5-yl]-4-phenylbutanamide
CID 24818974
N-[2-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
CID 24790459
N-[1-(1-{[5-(methoxymethyl)-2-furyl]methyl}-4-piperidinyl)-1H-pyrazol-5-yl]-4-phenylbutanamide
CID 24794107
N-(1-{1-[(5-methyl-2-furyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-phenoxypropanamide
CID 24816869
N-(1-{1-[(5-ethyl-2-furyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24817530
N-[2-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
CID 24817855
N-[1-(1-{[5-(hydroxymethyl)-2-furyl]methyl}-4-piperidinyl)-1H-pyrazol-5-yl]-3-phenoxypropanamide
CID 24793211
2-methoxy-N-[2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
CID 24793880
2-methoxy-N-{1-[1-(2-methyl-3-furoyl)-4-piperidinyl]-1H-pyrazol-5-yl}benzamide
CID 24794209

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide (CID 86911076) is N-(2-cyclopentylpyrazol-3-yl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide is O=C(CN(Cc1ccco1)Cc1ccccc1O)Nc1ccnn1C1CCCC1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide?
The InChIKey is ZMRNCKPZCTZZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-20-10-4-1-6-17(20)14-25(15-19-9-5-13-29-19)16-22(28)24-21-11-12-23-26(21)18-7-2-3-8-18/h1,4-6,9-13,18,27H,2-3,7-8,14-16H2,(H,24,28).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide?
N-(2-cyclopentylpyrazol-3-yl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide has a molecular weight of 394.48 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide is sourced from PubChem (CID 86911076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).