N-[2-(furan-2-yl)-2-hydroxypropyl]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide

C21H19N3O3 — CID 167795065

IUPACN-[2-(furan-2-yl)-2-hydroxypropyl]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(O)(CNC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1)c1ccco1
InChIInChI=1S/C21H19N3O3/c1-21(26,19-7-4-10-27-19)13-22-20(25)18-12-17(23-24-18)16-9-8-14-5-2-3-6-15(14)11-16/h2-12,26H,13H2,1H3,(H,22,25)(H,23,24)
InChIKeyNJKHDXPBZABAGM-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.46
Rot. Bonds5

About N-[2-(furan-2-yl)-2-hydroxypropyl]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide

N-[2-(furan-2-yl)-2-hydroxypropyl]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 167795065) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxypropyl]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxypropyl]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
PubChem CID167795065
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-[2-(furan-2-yl)-2-hydroxypropyl]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(O)(CNC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1)c1ccco1
InChIInChI=1S/C21H19N3O3/c1-21(26,19-7-4-10-27-19)13-22-20(25)18-12-17(23-24-18)16-9-8-14-5-2-3-6-15(14)11-16/h2-12,26H,13H2,1H3,(H,22,25)(H,23,24)
InChIKeyNJKHDXPBZABAGM-UHFFFAOYSA-N
XLogP3.46
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.46
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
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
N-[2-(furan-2-yl)-2-hydroxypropyl]naphthalene-1-carboxamide
CID 71782562
N-[2-(furan-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 111482271
N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-indazol-6-yl)acetamide
CID 99794548
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782549
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 111482579
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-2-methoxybenzamide
CID 95983592
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 111482538
2-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 71782547
2,6-dichloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71975267
3-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide
CID 111482092

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide (CID 167795065) is N-[2-(furan-2-yl)-2-hydroxypropyl]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxypropyl]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxypropyl]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide is CC(O)(CNC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is NJKHDXPBZABAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-21(26,19-7-4-10-27-19)13-22-20(25)18-12-17(23-24-18)16-9-8-14-5-2-3-6-15(14)11-16/h2-12,26H,13H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.46, 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]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 167795065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).