[5-(2,5-dimethoxyphenyl)pyrazolidin-3-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

C17H25N3O4 — CID 75261621

IUPAC[5-(2,5-dimethoxyphenyl)pyrazolidin-3-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(OC)c(C2CC(C(=O)N3CCC(CO)C3)NN2)c1
InChIInChI=1S/C17H25N3O4/c1-23-12-3-4-16(24-2)13(7-12)14-8-15(19-18-14)17(22)20-6-5-11(9-20)10-21/h3-4,7,11,14-15,18-19,21H,5-6,8-10H2,1-2H3
InChIKeyCRPALWZRPPLHAM-UHFFFAOYSA-N
MW335.40 g/mol
LogP0.45
Rot. Bonds5

About [5-(2,5-dimethoxyphenyl)pyrazolidin-3-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

[5-(2,5-dimethoxyphenyl)pyrazolidin-3-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 75261621) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is [5-(2,5-dimethoxyphenyl)pyrazolidin-3-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(2,5-dimethoxyphenyl)pyrazolidin-3-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID75261621
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name[5-(2,5-dimethoxyphenyl)pyrazolidin-3-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(OC)c(C2CC(C(=O)N3CCC(CO)C3)NN2)c1
InChIInChI=1S/C17H25N3O4/c1-23-12-3-4-16(24-2)13(7-12)14-8-15(19-18-14)17(22)20-6-5-11(9-20)10-21/h3-4,7,11,14-15,18-19,21H,5-6,8-10H2,1-2H3
InChIKeyCRPALWZRPPLHAM-UHFFFAOYSA-N
XLogP0.45
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 75283611
(2,5-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422311
[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 75283629
(2,4-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403188
3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 62372910
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone
CID 75283616
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55065169
[5-[(2-chloro-4-methoxyphenoxy)methyl]pyrazolidin-3-yl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 74809872
[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 75283620
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-4-yl)methanone
CID 126438254
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 129367623
2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-methoxybenzoic acid
CID 115965839

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dimethoxyphenyl)pyrazolidin-3-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(2,5-dimethoxyphenyl)pyrazolidin-3-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 75261621) is [5-(2,5-dimethoxyphenyl)pyrazolidin-3-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(2,5-dimethoxyphenyl)pyrazolidin-3-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(2,5-dimethoxyphenyl)pyrazolidin-3-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is COc1ccc(OC)c(C2CC(C(=O)N3CCC(CO)C3)NN2)c1.
What is the InChIKey of [5-(2,5-dimethoxyphenyl)pyrazolidin-3-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is CRPALWZRPPLHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-23-12-3-4-16(24-2)13(7-12)14-8-15(19-18-14)17(22)20-6-5-11(9-20)10-21/h3-4,7,11,14-15,18-19,21H,5-6,8-10H2,1-2H3.
What are the key properties of [5-(2,5-dimethoxyphenyl)pyrazolidin-3-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
[5-(2,5-dimethoxyphenyl)pyrazolidin-3-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 335.40 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dimethoxyphenyl)pyrazolidin-3-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 75261621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).