1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea

C22H33N5O2 — CID 119048970

IUPAC1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea
SMILESCOCCN1CCC(NC(=O)Nc2cnn(-c3ccccc3C)c2C(C)C)CC1
InChIInChI=1S/C22H33N5O2/c1-16(2)21-19(15-23-27(21)20-8-6-5-7-17(20)3)25-22(28)24-18-9-11-26(12-10-18)13-14-29-4/h5-8,15-16,18H,9-14H2,1-4H3,(H2,24,25,28)
InChIKeyJLOYTBWRQYRHSC-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.54
Rot. Bonds7

About 1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea

1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea (PubChem CID 119048970) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea
PubChem CID119048970
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea
SMILESCOCCN1CCC(NC(=O)Nc2cnn(-c3ccccc3C)c2C(C)C)CC1
InChIInChI=1S/C22H33N5O2/c1-16(2)21-19(15-23-27(21)20-8-6-5-7-17(20)3)25-22(28)24-18-9-11-26(12-10-18)13-14-29-4/h5-8,15-16,18H,9-14H2,1-4H3,(H2,24,25,28)
InChIKeyJLOYTBWRQYRHSC-UHFFFAOYSA-N
XLogP3.54
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-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

1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea
CID 119048974
1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 51093545
2-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]-3-phenylpropanamide
CID 119861342
1-(2-methoxyethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 171096968
N-methyl-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 166222223
1-(2,3-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 6470893
4-fluoro-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 34797820
N-[1-(2-methoxyethyl)piperidin-4-yl]-2-(3-methylindol-1-yl)acetamide
CID 49385970
1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
CID 6468357
N-cyclopropyl-5-ethyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 42818270
N-[1-(2-methoxyethyl)piperidin-4-yl]-2-(1-methylindol-3-yl)acetamide
CID 71784688
(2R)-2-(2-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27233966

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea?
The IUPAC name of 1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea (CID 119048970) is 1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea.
What is the SMILES notation for 1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea?
The canonical SMILES for 1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea is COCCN1CCC(NC(=O)Nc2cnn(-c3ccccc3C)c2C(C)C)CC1.
What is the InChIKey of 1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea?
The InChIKey is JLOYTBWRQYRHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-16(2)21-19(15-23-27(21)20-8-6-5-7-17(20)3)25-22(28)24-18-9-11-26(12-10-18)13-14-29-4/h5-8,15-16,18H,9-14H2,1-4H3,(H2,24,25,28).
What are the key properties of 1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea?
1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea has a molecular weight of 399.54 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea is sourced from PubChem (CID 119048970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).