(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone

C20H27N3O2 — CID 97099034

IUPAC(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCCCn1nc(C)c(C(=O)N2CC[C@H](c3ccccc3OC)C2)c1C
InChIInChI=1S/C20H27N3O2/c1-5-11-23-15(3)19(14(2)21-23)20(24)22-12-10-16(13-22)17-8-6-7-9-18(17)25-4/h6-9,16H,5,10-13H2,1-4H3/t16-/m0/s1
InChIKeyUSKCEOAXZDOEED-INIZCTEOSA-N
MW341.46 g/mol
LogP3.55
Rot. Bonds5

About (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone

(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 97099034) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID97099034
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCCCn1nc(C)c(C(=O)N2CC[C@H](c3ccccc3OC)C2)c1C
InChIInChI=1S/C20H27N3O2/c1-5-11-23-15(3)19(14(2)21-23)20(24)22-12-10-16(13-22)17-8-6-7-9-18(17)25-4/h6-9,16H,5,10-13H2,1-4H3/t16-/m0/s1
InChIKeyUSKCEOAXZDOEED-INIZCTEOSA-N
XLogP3.55
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone 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

2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperidin-1-yl]ethanone
CID 91786322
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
CID 125022683
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride
CID 119413051
(3,5-dimethyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 127246392
(3-aminopiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
CID 119381314
5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120689077
2-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)pyrrolidin-3-yl]benzoic acid
CID 95709553
1-[4-(2-methoxyphenyl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 131945662
5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119137424
[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride
CID 119520508
(1-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 111437303
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
CID 120814052

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 97099034) is (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone is CCCn1nc(C)c(C(=O)N2CC[C@H](c3ccccc3OC)C2)c1C.
What is the InChIKey of (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is USKCEOAXZDOEED-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-5-11-23-15(3)19(14(2)21-23)20(24)22-12-10-16(13-22)17-8-6-7-9-18(17)25-4/h6-9,16H,5,10-13H2,1-4H3/t16-/m0/s1.
What are the key properties of (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 341.46 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97099034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).