5-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide

C16H15N3O3 — CID 110908938

IUPAC5-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1ccccc1CO)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C16H15N3O3/c20-10-12-5-2-1-4-11(12)9-17-16(21)14-8-13(18-19-14)15-6-3-7-22-15/h1-8,20H,9-10H2,(H,17,21)(H,18,19)
InChIKeyCTJQQTQRWWCVTA-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.09
Rot. Bonds5

About 5-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 110908938) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID110908938
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name5-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1ccccc1CO)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C16H15N3O3/c20-10-12-5-2-1-4-11(12)9-17-16(21)14-8-13(18-19-14)15-6-3-7-22-15/h1-8,20H,9-10H2,(H,17,21)(H,18,19)
InChIKeyCTJQQTQRWWCVTA-UHFFFAOYSA-N
XLogP2.09
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(furan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 39854407
5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide
CID 78854308
5-(furan-2-yl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 35555970
5-(furan-2-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 90538388
5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 25353049
5-(furan-2-yl)-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119502872
N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 119498062
5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide
CID 25348232
N-[(1-ethylpyrazol-4-yl)methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513881
5-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 71981631
N-[2-(2,6-difluorophenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 87036753
6-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-2-methylpyridine-3-carboxamide
CID 110922170

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide (CID 110908938) is 5-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide is O=C(NCc1ccccc1CO)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is CTJQQTQRWWCVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-10-12-5-2-1-4-11(12)9-17-16(21)14-8-13(18-19-14)15-6-3-7-22-15/h1-8,20H,9-10H2,(H,17,21)(H,18,19).
What are the key properties of 5-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 110908938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).