N-[[4-(3,5-dimethylphenyl)oxan-4-yl]methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide

C25H33N3O3 — CID 75262074

IUPACN-[[4-(3,5-dimethylphenyl)oxan-4-yl]methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide
SMILESCOc1ccccc1C1CC(C(=O)NCC2(c3cc(C)cc(C)c3)CCOCC2)NN1
InChIInChI=1S/C25H33N3O3/c1-17-12-18(2)14-19(13-17)25(8-10-31-11-9-25)16-26-24(29)22-15-21(27-28-22)20-6-4-5-7-23(20)30-3/h4-7,12-14,21-22,27-28H,8-11,15-16H2,1-3H3,(H,26,29)
InChIKeyRNMQFEISGNQDJV-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.08
Rot. Bonds6

About N-[[4-(3,5-dimethylphenyl)oxan-4-yl]methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide

N-[[4-(3,5-dimethylphenyl)oxan-4-yl]methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide (PubChem CID 75262074) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[[4-(3,5-dimethylphenyl)oxan-4-yl]methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(3,5-dimethylphenyl)oxan-4-yl]methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide
PubChem CID75262074
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-[[4-(3,5-dimethylphenyl)oxan-4-yl]methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide
SMILESCOc1ccccc1C1CC(C(=O)NCC2(c3cc(C)cc(C)c3)CCOCC2)NN1
InChIInChI=1S/C25H33N3O3/c1-17-12-18(2)14-19(13-17)25(8-10-31-11-9-25)16-26-24(29)22-15-21(27-28-22)20-6-4-5-7-23(20)30-3/h4-7,12-14,21-22,27-28H,8-11,15-16H2,1-3H3,(H,26,29)
InChIKeyRNMQFEISGNQDJV-UHFFFAOYSA-N
XLogP3.08
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[4-(3,5-dimethylphenyl)oxan-4-yl]methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide
CID 134127389
N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
CID 75283665
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide
CID 78154777
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
CID 27449334
5-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrazolidine-3-carboxamide
CID 133108835
(1R,2R,4S)-N-[[4-(3,5-dimethylphenyl)oxan-4-yl]methyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide
CID 124793266
N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119293530
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide
CID 112503014
(2S,4S)-2-methyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
CID 120623333
5-(4-hydroxyphenyl)-N-[(1-phenylcyclopentyl)methyl]pyrazolidine-3-carboxamide
CID 134081161
5-(2,4-dimethoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolidine-3-carboxamide
CID 75283715
N-(3,5-dimethoxyphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605721

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-dimethylphenyl)oxan-4-yl]methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-[[4-(3,5-dimethylphenyl)oxan-4-yl]methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide (CID 75262074) is N-[[4-(3,5-dimethylphenyl)oxan-4-yl]methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[[4-(3,5-dimethylphenyl)oxan-4-yl]methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-[[4-(3,5-dimethylphenyl)oxan-4-yl]methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide is COc1ccccc1C1CC(C(=O)NCC2(c3cc(C)cc(C)c3)CCOCC2)NN1.
What is the InChIKey of N-[[4-(3,5-dimethylphenyl)oxan-4-yl]methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide?
The InChIKey is RNMQFEISGNQDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-17-12-18(2)14-19(13-17)25(8-10-31-11-9-25)16-26-24(29)22-15-21(27-28-22)20-6-4-5-7-23(20)30-3/h4-7,12-14,21-22,27-28H,8-11,15-16H2,1-3H3,(H,26,29).
What are the key properties of N-[[4-(3,5-dimethylphenyl)oxan-4-yl]methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide?
N-[[4-(3,5-dimethylphenyl)oxan-4-yl]methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,5-dimethylphenyl)oxan-4-yl]methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75262074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).