N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

C23H21N3O4 — CID 78867776

IUPACN-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(O)c2ccco2)cc1
InChIInChI=1S/C23H21N3O4/c1-29-18-11-9-16(10-12-18)22-19(15-26(25-22)17-6-3-2-4-7-17)23(28)24-14-20(27)21-8-5-13-30-21/h2-13,15,20,27H,14H2,1H3,(H,24,28)
InChIKeyHXIFEZOFOBQFLH-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.60
Rot. Bonds7

About N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 78867776) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID78867776
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(O)c2ccco2)cc1
InChIInChI=1S/C23H21N3O4/c1-29-18-11-9-16(10-12-18)22-19(15-26(25-22)17-6-3-2-4-7-17)23(28)24-14-20(27)21-8-5-13-30-21/h2-13,15,20,27H,14H2,1H3,(H,24,28)
InChIKeyHXIFEZOFOBQFLH-UHFFFAOYSA-N
XLogP3.60
TPSA89.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 40794551
3-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]-2-phenylpropanoic acid
CID 154750619
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 18204409
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 2475115
N-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55576920
3-(4-methoxyphenyl)-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 18205735
3-(4-methoxyphenyl)-1-phenyl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrazole-4-carboxamide
CID 55647189
N-[(1S)-1-(furan-2-yl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 9481788
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
3-(4-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 55371792
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 70687976
N-(2-bromophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 23935617

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 78867776) is N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(O)c2ccco2)cc1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is HXIFEZOFOBQFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-29-18-11-9-16(10-12-18)22-19(15-26(25-22)17-6-3-2-4-7-17)23(28)24-14-20(27)21-8-5-13-30-21/h2-13,15,20,27H,14H2,1H3,(H,24,28).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 78867776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).