3-(phenoxymethyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]furan-2-carboxamide

C21H18N4O3 — CID 47089669

IUPAC3-(phenoxymethyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]furan-2-carboxamide
SMILESO=C(Nc1ccn(Cc2cccnc2)n1)c1occc1COc1ccccc1
InChIInChI=1S/C21H18N4O3/c26-21(20-17(9-12-27-20)15-28-18-6-2-1-3-7-18)23-19-8-11-25(24-19)14-16-5-4-10-22-13-16/h1-13H,14-15H2,(H,23,24,26)
InChIKeyDBMLHUSEDNISPU-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.75
Rot. Bonds7

About 3-(phenoxymethyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]furan-2-carboxamide

3-(phenoxymethyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]furan-2-carboxamide (PubChem CID 47089669) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 3-(phenoxymethyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name3-(phenoxymethyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]furan-2-carboxamide
PubChem CID47089669
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name3-(phenoxymethyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]furan-2-carboxamide
SMILESO=C(Nc1ccn(Cc2cccnc2)n1)c1occc1COc1ccccc1
InChIInChI=1S/C21H18N4O3/c26-21(20-17(9-12-27-20)15-28-18-6-2-1-3-7-18)23-19-8-11-25(24-19)14-16-5-4-10-22-13-16/h1-13H,14-15H2,(H,23,24,26)
InChIKeyDBMLHUSEDNISPU-UHFFFAOYSA-N
XLogP3.75
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(phenoxymethyl)-N-(2-pyridin-3-ylethyl)furan-2-carboxamide
CID 30889619
1-(pyridin-3-ylmethyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 60615939
3-(phenoxymethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 29370752
N-(5-methyl-1,3-thiazol-2-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 17457516
1-(3,5-dimethoxyphenyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 167836219
3-hydroxy-5-(4-methylsulfonylphenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]benzamide
CID 59448699
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 51102289
N-(1-benzylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19286166
cis-(1S,2R)-2-(2-methoxyphenyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 95306827
N-(1-benzylpyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide
CID 19286274
3-(phenoxymethyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide
CID 38668380
5-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
CID 19486327

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of 3-(phenoxymethyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]furan-2-carboxamide (CID 47089669) is 3-(phenoxymethyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for 3-(phenoxymethyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for 3-(phenoxymethyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]furan-2-carboxamide is O=C(Nc1ccn(Cc2cccnc2)n1)c1occc1COc1ccccc1.
What is the InChIKey of 3-(phenoxymethyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]furan-2-carboxamide?
The InChIKey is DBMLHUSEDNISPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c26-21(20-17(9-12-27-20)15-28-18-6-2-1-3-7-18)23-19-8-11-25(24-19)14-16-5-4-10-22-13-16/h1-13H,14-15H2,(H,23,24,26).
What are the key properties of 3-(phenoxymethyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]furan-2-carboxamide?
3-(phenoxymethyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 47089669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).