3-[[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]-N-propylbenzamide

C23H24N4O2 — CID 47617409

IUPAC3-[[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(CNCc2cn[nH]c2-c2cc3ccccc3o2)c1
InChIInChI=1S/C23H24N4O2/c1-2-10-25-23(28)18-8-5-6-16(11-18)13-24-14-19-15-26-27-22(19)21-12-17-7-3-4-9-20(17)29-21/h3-9,11-12,15,24H,2,10,13-14H2,1H3,(H,25,28)(H,26,27)
InChIKeyLPPRISLJTZVYBV-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.25
Rot. Bonds8

About 3-[[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]-N-propylbenzamide

3-[[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]-N-propylbenzamide (PubChem CID 47617409) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-[[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]-N-propylbenzamide
PubChem CID47617409
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name3-[[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(CNCc2cn[nH]c2-c2cc3ccccc3o2)c1
InChIInChI=1S/C23H24N4O2/c1-2-10-25-23(28)18-8-5-6-16(11-18)13-24-14-19-15-26-27-22(19)21-12-17-7-3-4-9-20(17)29-21/h3-9,11-12,15,24H,2,10,13-14H2,1H3,(H,25,28)(H,26,27)
InChIKeyLPPRISLJTZVYBV-UHFFFAOYSA-N
XLogP4.25
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(1-methylpyrazol-4-yl)methylamino]methyl]-N-propylbenzamide
CID 60614085
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-thiophen-2-ylmethanamine
CID 47611099
4-[[[3-(propylcarbamoyl)phenyl]methylamino]methyl]benzoic acid
CID 122030411
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine
CID 25285777
1-[3-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one
CID 86808888
3-(2-phenylethyl)-N-propylbenzamide
CID 67214540
3-[[(2-phenyltriazol-4-yl)methylamino]methyl]-N-propylbenzamide
CID 60614443
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]-N-propylacetamide
CID 60663784
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 166180902
N-propyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide
CID 58302750
3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]-N-propylbenzamide
CID 119041393

Frequently Asked Questions

What is the IUPAC name of 3-[[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]-N-propylbenzamide?
The IUPAC name of 3-[[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]-N-propylbenzamide (CID 47617409) is 3-[[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]-N-propylbenzamide.
What is the SMILES notation for 3-[[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]-N-propylbenzamide?
The canonical SMILES for 3-[[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]-N-propylbenzamide is CCCNC(=O)c1cccc(CNCc2cn[nH]c2-c2cc3ccccc3o2)c1.
What is the InChIKey of 3-[[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]-N-propylbenzamide?
The InChIKey is LPPRISLJTZVYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-2-10-25-23(28)18-8-5-6-16(11-18)13-24-14-19-15-26-27-22(19)21-12-17-7-3-4-9-20(17)29-21/h3-9,11-12,15,24H,2,10,13-14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 3-[[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]-N-propylbenzamide?
3-[[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]-N-propylbenzamide has a molecular weight of 388.47 g/mol, XLogP of 4.25, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]-N-propylbenzamide is sourced from PubChem (CID 47617409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).