1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-ethylurea

C31H30Cl3N5O2 — CID 57343223

IUPAC1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-ethylurea
SMILESCCNC(=O)NC1(c2ccccc2)CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1
InChIInChI=1S/C31H30Cl3N5O2/c1-3-35-30(41)36-31(22-7-5-4-6-8-22)15-17-38(18-16-31)29(40)27-20(2)28(21-9-11-23(32)12-10-21)39(37-27)26-14-13-24(33)19-25(26)34/h4-14,19H,3,15-18H2,1-2H3,(H2,35,36,41)
InChIKeyUXAPIXAFOMKKMB-UHFFFAOYSA-N
MW610.97 g/mol
LogP7.26
Rot. Bonds6

About 1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-ethylurea

1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-ethylurea (PubChem CID 57343223) has the molecular formula C31H30Cl3N5O2 and a molecular weight of 610.97 g/mol. Its IUPAC name is 1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-ethylurea
PubChem CID57343223
Molecular FormulaC31H30Cl3N5O2
Molecular Weight610.97 g/mol
Exact Mass609.15
IUPAC Name1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-ethylurea
SMILESCCNC(=O)NC1(c2ccccc2)CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1
InChIInChI=1S/C31H30Cl3N5O2/c1-3-35-30(41)36-31(22-7-5-4-6-8-22)15-17-38(18-16-31)29(40)27-20(2)28(21-9-11-23(32)12-10-21)39(37-27)26-14-13-24(33)19-25(26)34/h4-14,19H,3,15-18H2,1-2H3,(H2,35,36,41)
InChIKeyUXAPIXAFOMKKMB-UHFFFAOYSA-N
XLogP7.26
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.97
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-ethylurea 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-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-(4-fluorophenyl)urea
CID 57343049
tert-butyl N-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]carbamate
CID 57342881
[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidin-4-yl]carbamic acid
CID 71116095
N-(benzylcarbamoyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 25158723
tert-butyl 4-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperazine-1-carboxylate
CID 162699758
N-(aminomethyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 69235606
5-(4-chlorophenyl)-N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide
CID 25149717
N-butyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 11102177
[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-[4-(3-ethyl-2-methylhex-5-enyl)piperazin-1-yl]methanone
CID 166948825
1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-3-carboxamide
CID 169175708
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(1-phenylcyclopropyl)-4-(1,2,4-triazol-1-ylmethyl)pyrazole-3-carboxamide
CID 46231344
(3R)-3-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-N-ethylpiperidine-1-carboxamide
CID 57341513

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-ethylurea?
The IUPAC name of 1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-ethylurea (CID 57343223) is 1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-ethylurea.
What is the SMILES notation for 1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-ethylurea?
The canonical SMILES for 1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-ethylurea is CCNC(=O)NC1(c2ccccc2)CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1.
What is the InChIKey of 1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-ethylurea?
The InChIKey is UXAPIXAFOMKKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30Cl3N5O2/c1-3-35-30(41)36-31(22-7-5-4-6-8-22)15-17-38(18-16-31)29(40)27-20(2)28(21-9-11-23(32)12-10-21)39(37-27)26-14-13-24(33)19-25(26)34/h4-14,19H,3,15-18H2,1-2H3,(H2,35,36,41).
What are the key properties of 1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-ethylurea?
1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-ethylurea has a molecular weight of 610.97 g/mol, XLogP of 7.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-ethylurea is sourced from PubChem (CID 57343223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).