5-(furan-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]pyrazolidine-3-carboxamide

C22H23N3O3 — CID 75354981

IUPAC5-(furan-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]pyrazolidine-3-carboxamide
SMILESO=C(NCc1ccc(OCc2ccccc2)cc1)C1CC(c2ccco2)NN1
InChIInChI=1S/C22H23N3O3/c26-22(20-13-19(24-25-20)21-7-4-12-27-21)23-14-16-8-10-18(11-9-16)28-15-17-5-2-1-3-6-17/h1-12,19-20,24-25H,13-15H2,(H,23,26)
InChIKeyXJAPDWDXVTXLAK-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.08
Rot. Bonds7

About 5-(furan-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]pyrazolidine-3-carboxamide

5-(furan-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]pyrazolidine-3-carboxamide (PubChem CID 75354981) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]pyrazolidine-3-carboxamide
PubChem CID75354981
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name5-(furan-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]pyrazolidine-3-carboxamide
SMILESO=C(NCc1ccc(OCc2ccccc2)cc1)C1CC(c2ccco2)NN1
InChIInChI=1S/C22H23N3O3/c26-22(20-13-19(24-25-20)21-7-4-12-27-21)23-14-16-8-10-18(11-9-16)28-15-17-5-2-1-3-6-17/h1-12,19-20,24-25H,13-15H2,(H,23,26)
InChIKeyXJAPDWDXVTXLAK-UHFFFAOYSA-N
XLogP3.08
TPSA75.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazolidine-3-carboxamide
CID 74658751
5-(furan-2-yl)-N-(pyridin-2-ylmethyl)pyrazolidine-3-carboxamide
CID 85499054
5-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methyl]pyrazolidine-3-carboxamide
CID 75255164
N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide
CID 137270532
(2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide
CID 120922641
N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
CID 75283665
N-[(4-bromophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75234443
N-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119283165
3-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119712143
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
N-[(4-chlorophenyl)methyl]-5-(4-phenylmethoxyanilino)triazolidine-4-carboxamide
CID 75118726
1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119283171

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]pyrazolidine-3-carboxamide (CID 75354981) is 5-(furan-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]pyrazolidine-3-carboxamide is O=C(NCc1ccc(OCc2ccccc2)cc1)C1CC(c2ccco2)NN1.
What is the InChIKey of 5-(furan-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]pyrazolidine-3-carboxamide?
The InChIKey is XJAPDWDXVTXLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-22(20-13-19(24-25-20)21-7-4-12-27-21)23-14-16-8-10-18(11-9-16)28-15-17-5-2-1-3-6-17/h1-12,19-20,24-25H,13-15H2,(H,23,26).
What are the key properties of 5-(furan-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]pyrazolidine-3-carboxamide?
5-(furan-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]pyrazolidine-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 75354981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).