1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]urea

C20H29N5O2 — CID 72911546

IUPAC1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]urea
SMILESCCN1CCCC1CNC(=O)Nc1c(-c2ccccc2OC)c(C)nn1C
InChIInChI=1S/C20H29N5O2/c1-5-25-12-8-9-15(25)13-21-20(26)22-19-18(14(2)23-24(19)3)16-10-6-7-11-17(16)27-4/h6-7,10-11,15H,5,8-9,12-13H2,1-4H3,(H2,21,22,26)
InChIKeyCNFKTJGUGBDWIB-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.01
Rot. Bonds6

About 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]urea

1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]urea (PubChem CID 72911546) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]urea.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]urea
PubChem CID72911546
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]urea
SMILESCCN1CCCC1CNC(=O)Nc1c(-c2ccccc2OC)c(C)nn1C
InChIInChI=1S/C20H29N5O2/c1-5-25-12-8-9-15(25)13-21-20(26)22-19-18(14(2)23-24(19)3)16-10-6-7-11-17(16)27-4/h6-7,10-11,15H,5,8-9,12-13H2,1-4H3,(H2,21,22,26)
InChIKeyCNFKTJGUGBDWIB-UHFFFAOYSA-N
XLogP3.01
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]urea 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-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methoxyphenyl)oxamide
CID 2206007
1-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-3-[3-(4-methylpyrazol-1-yl)propyl]urea
CID 118792010
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 4260642
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide
CID 78154777
1-(2-benzylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 71876765
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]acetamide
CID 134713407
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114043
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66120254
1-(4-acetylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 60724313
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 42436493
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 47416436

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]urea?
The IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]urea (CID 72911546) is 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]urea.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]urea?
The canonical SMILES for 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]urea is CCN1CCCC1CNC(=O)Nc1c(-c2ccccc2OC)c(C)nn1C.
What is the InChIKey of 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]urea?
The InChIKey is CNFKTJGUGBDWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-5-25-12-8-9-15(25)13-21-20(26)22-19-18(14(2)23-24(19)3)16-10-6-7-11-17(16)27-4/h6-7,10-11,15H,5,8-9,12-13H2,1-4H3,(H2,21,22,26).
What are the key properties of 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]urea?
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]urea has a molecular weight of 371.49 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]urea is sourced from PubChem (CID 72911546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).