N-[(1S)-1-(furan-2-yl)ethyl]-1,3-diphenylpyrazole-4-carboxamide

C22H19N3O2 — CID 9481788

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccco1
InChIInChI=1S/C22H19N3O2/c1-16(20-13-8-14-27-20)23-22(26)19-15-25(18-11-6-3-7-12-18)24-21(19)17-9-4-2-5-10-17/h2-16H,1H3,(H,23,26)/t16-/m0/s1
InChIKeySYQFYMFZEUHBFG-INIZCTEOSA-N
MW357.41 g/mol
LogP4.62
Rot. Bonds5

About N-[(1S)-1-(furan-2-yl)ethyl]-1,3-diphenylpyrazole-4-carboxamide

N-[(1S)-1-(furan-2-yl)ethyl]-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 9481788) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
PubChem CID9481788
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccco1
InChIInChI=1S/C22H19N3O2/c1-16(20-13-8-14-27-20)23-22(26)19-15-25(18-11-6-3-7-12-18)24-21(19)17-9-4-2-5-10-17/h2-16H,1H3,(H,23,26)/t16-/m0/s1
InChIKeySYQFYMFZEUHBFG-INIZCTEOSA-N
XLogP4.62
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 78775903
N-(1-hydroxypropan-2-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 78856855
3-(4-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 55371792
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78867776
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 9227685
N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide
CID 111429323
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 98284311
N-[1-(4-methylphenyl)propyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281297
3-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 42988922
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 40815392
N-[1-(furan-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 18110349
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 40794551

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-1,3-diphenylpyrazole-4-carboxamide (CID 9481788) is N-[(1S)-1-(furan-2-yl)ethyl]-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-1,3-diphenylpyrazole-4-carboxamide is C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is SYQFYMFZEUHBFG-INIZCTEOSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-16(20-13-8-14-27-20)23-22(26)19-15-25(18-11-6-3-7-12-18)24-21(19)17-9-4-2-5-10-17/h2-16H,1H3,(H,23,26)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-1,3-diphenylpyrazole-4-carboxamide?
N-[(1S)-1-(furan-2-yl)ethyl]-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 9481788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).