1-(2-chlorophenyl)-3-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]urea

C24H28ClN5O — CID 26321155

IUPAC1-(2-chlorophenyl)-3-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]urea
SMILESCCc1ccc(CN2CCC(n3nccc3NC(=O)Nc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C24H28ClN5O/c1-2-18-7-9-19(10-8-18)17-29-15-12-20(13-16-29)30-23(11-14-26-30)28-24(31)27-22-6-4-3-5-21(22)25/h3-11,14,20H,2,12-13,15-17H2,1H3,(H2,27,28,31)
InChIKeyDEFUGTFZIBUBHN-UHFFFAOYSA-N
MW437.98 g/mol
LogP5.58
Rot. Bonds6

About 1-(2-chlorophenyl)-3-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]urea

1-(2-chlorophenyl)-3-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]urea (PubChem CID 26321155) has the molecular formula C24H28ClN5O and a molecular weight of 437.98 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]urea
PubChem CID26321155
Molecular FormulaC24H28ClN5O
Molecular Weight437.98 g/mol
Exact Mass437.20
IUPAC Name1-(2-chlorophenyl)-3-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]urea
SMILESCCc1ccc(CN2CCC(n3nccc3NC(=O)Nc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C24H28ClN5O/c1-2-18-7-9-19(10-8-18)17-29-15-12-20(13-16-29)30-23(11-14-26-30)28-24(31)27-22-6-4-3-5-21(22)25/h3-11,14,20H,2,12-13,15-17H2,1H3,(H2,27,28,31)
InChIKeyDEFUGTFZIBUBHN-UHFFFAOYSA-N
XLogP5.58
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.98
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-chlorophenyl)-3-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-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-(2-chlorophenyl)-3-[2-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]urea
CID 42462202
1-(2-chlorophenyl)-3-[2-(1-propanoylpiperidin-4-yl)pyrazol-3-yl]urea
CID 56747961
1-(2-chlorophenyl)-3-[2-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 25298239
1-(2-chlorophenyl)-3-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 56744087
1-(2-chlorophenyl)-3-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 26320023
1-(2-chlorophenyl)-3-[2-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 25371671
N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
CID 24791290
2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24793136
4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-cyclohexylpiperidine-1-carboxamide
CID 26327836
N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42211407
2-methoxy-2-phenyl-N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide
CID 45210189
2-chloro-N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42244340

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]urea (CID 26321155) is 1-(2-chlorophenyl)-3-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]urea is CCc1ccc(CN2CCC(n3nccc3NC(=O)Nc3ccccc3Cl)CC2)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]urea?
The InChIKey is DEFUGTFZIBUBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O/c1-2-18-7-9-19(10-8-18)17-29-15-12-20(13-16-29)30-23(11-14-26-30)28-24(31)27-22-6-4-3-5-21(22)25/h3-11,14,20H,2,12-13,15-17H2,1H3,(H2,27,28,31).
What are the key properties of 1-(2-chlorophenyl)-3-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]urea?
1-(2-chlorophenyl)-3-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]urea has a molecular weight of 437.98 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]urea is sourced from PubChem (CID 26321155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).