N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]acetamide

C18H24N4O2 — CID 96540886

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN1CCC[C@@H]1COc1ccccc1
InChIInChI=1S/C18H24N4O2/c1-13-18(14(2)21-20-13)19-17(23)11-22-10-6-7-15(22)12-24-16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H,19,23)(H,20,21)/t15-/m1/s1
InChIKeyPJVQEAUTDQVWPS-OAHLLOKOSA-N
MW328.42 g/mol
LogP2.51
Rot. Bonds6

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]acetamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 96540886) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID96540886
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN1CCC[C@@H]1COc1ccccc1
InChIInChI=1S/C18H24N4O2/c1-13-18(14(2)21-20-13)19-17(23)11-22-10-6-7-15(22)12-24-16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H,19,23)(H,20,21)/t15-/m1/s1
InChIKeyPJVQEAUTDQVWPS-OAHLLOKOSA-N
XLogP2.51
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]acetamide 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-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-[2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]acetamide
CID 71920097
2-[(2R)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 96549122
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-formylpiperidin-1-yl)acetamide
CID 55100215
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95979170
2-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 96538815
2-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 136586050
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95757763
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
CID 95766759
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
CID 95766758
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]acetamide
CID 71988673
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-2-(2-phenoxyethoxy)ethanone
CID 71905949
2-[2-[(4-benzylphenoxy)methyl]pyrrolidin-1-yl]acetic acid
CID 68998811

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]acetamide (CID 96540886) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]acetamide is Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@@H]1COc1ccccc1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is PJVQEAUTDQVWPS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-18(14(2)21-20-13)19-17(23)11-22-10-6-7-15(22)12-24-16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H,19,23)(H,20,21)/t15-/m1/s1.
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]acetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 328.42 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 96540886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).