N-[2-(furan-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide

C17H17N3O3 — CID 111482271

IUPACN-[2-(furan-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCC(O)(CNC(=O)c1cn[nH]c1-c1ccccc1)c1ccco1
InChIInChI=1S/C17H17N3O3/c1-17(22,14-8-5-9-23-14)11-18-16(21)13-10-19-20-15(13)12-6-3-2-4-7-12/h2-10,22H,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyIMYGXKOLGZZXOA-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.31
Rot. Bonds5

About N-[2-(furan-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide

N-[2-(furan-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 111482271) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID111482271
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[2-(furan-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCC(O)(CNC(=O)c1cn[nH]c1-c1ccccc1)c1ccco1
InChIInChI=1S/C17H17N3O3/c1-17(22,14-8-5-9-23-14)11-18-16(21)13-10-19-20-15(13)12-6-3-2-4-7-12/h2-10,22H,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyIMYGXKOLGZZXOA-UHFFFAOYSA-N
XLogP2.31
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-4-phenylbenzamide
CID 95983664
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782549
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 111482538
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
N-[2-(furan-2-yl)-2-hydroxypropyl]naphthalene-1-carboxamide
CID 71782562
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-2-methoxybenzamide
CID 95983592
3-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111519619
1-ethyl-N-[2-(furan-2-yl)-2-hydroxypropyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 111482668
N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-indazol-6-yl)acetamide
CID 99794548
3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 43354670
2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 109477092
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
CID 167795065

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide (CID 111482271) is N-[2-(furan-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide is CC(O)(CNC(=O)c1cn[nH]c1-c1ccccc1)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is IMYGXKOLGZZXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-17(22,14-8-5-9-23-14)11-18-16(21)13-10-19-20-15(13)12-6-3-2-4-7-12/h2-10,22H,11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide?
N-[2-(furan-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 111482271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).