N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-5-propylpyrazolidine-3-carboxamide

C20H23N3O4 — CID 75261445

IUPACN-[4-(1,3-benzodioxol-5-yloxy)phenyl]-5-propylpyrazolidine-3-carboxamide
SMILESCCCC1CC(C(=O)Nc2ccc(Oc3ccc4c(c3)OCO4)cc2)NN1
InChIInChI=1S/C20H23N3O4/c1-2-3-14-10-17(23-22-14)20(24)21-13-4-6-15(7-5-13)27-16-8-9-18-19(11-16)26-12-25-18/h4-9,11,14,17,22-23H,2-3,10,12H2,1H3,(H,21,24)
InChIKeyHRCZGTJCKPYTQN-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.18
Rot. Bonds6

About N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-5-propylpyrazolidine-3-carboxamide

N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-5-propylpyrazolidine-3-carboxamide (PubChem CID 75261445) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-5-propylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzodioxol-5-yloxy)phenyl]-5-propylpyrazolidine-3-carboxamide
PubChem CID75261445
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[4-(1,3-benzodioxol-5-yloxy)phenyl]-5-propylpyrazolidine-3-carboxamide
SMILESCCCC1CC(C(=O)Nc2ccc(Oc3ccc4c(c3)OCO4)cc2)NN1
InChIInChI=1S/C20H23N3O4/c1-2-3-14-10-17(23-22-14)20(24)21-13-4-6-15(7-5-13)27-16-8-9-18-19(11-16)26-12-25-18/h4-9,11,14,17,22-23H,2-3,10,12H2,1H3,(H,21,24)
InChIKeyHRCZGTJCKPYTQN-UHFFFAOYSA-N
XLogP3.18
TPSA80.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-(1,3-benzodioxol-5-yl)pyrazolidine-3-carboxamide
CID 77046165
N-(1,3-benzodioxol-5-yl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605728
N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-methylfuran-3-carboxamide
CID 16762169
5-(4-ethylphenoxy)-1,3-benzodioxole
CID 142013581
5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-thiophen-2-ylethyl)pyrazolidine-3-carboxamide
CID 74809678
[5-(1,3-benzodioxol-5-yloxymethyl)pyrazolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 74415804
1-[4-(1,3-benzodioxol-5-yloxy)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 11510714
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(4-phenoxyphenyl)acetamide
CID 8746165
N-(1,3-benzodioxol-5-yl)-5-methylpiperazine-2-carboxamide
CID 63103835
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 87044762
(2S)-N-(1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
CID 22691464
N-(1,3-benzodioxol-5-yl)-6-oxodiazinane-3-carboxamide
CID 78270217

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-5-propylpyrazolidine-3-carboxamide?
The IUPAC name of N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-5-propylpyrazolidine-3-carboxamide (CID 75261445) is N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-5-propylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-5-propylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-5-propylpyrazolidine-3-carboxamide is CCCC1CC(C(=O)Nc2ccc(Oc3ccc4c(c3)OCO4)cc2)NN1.
What is the InChIKey of N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-5-propylpyrazolidine-3-carboxamide?
The InChIKey is HRCZGTJCKPYTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-2-3-14-10-17(23-22-14)20(24)21-13-4-6-15(7-5-13)27-16-8-9-18-19(11-16)26-12-25-18/h4-9,11,14,17,22-23H,2-3,10,12H2,1H3,(H,21,24).
What are the key properties of N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-5-propylpyrazolidine-3-carboxamide?
N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-5-propylpyrazolidine-3-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-5-propylpyrazolidine-3-carboxamide is sourced from PubChem (CID 75261445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).