1-[2-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-piperidin-1-ylphenyl)urea

C30H33N5O2 — CID 59830862

IUPAC1-[2-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-piperidin-1-ylphenyl)urea
SMILESCCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C30H33N5O2/c1-3-23-11-5-7-13-27(23)35-29(21-22(2)33-35)37-28-14-8-6-12-26(28)32-30(36)31-24-15-17-25(18-16-24)34-19-9-4-10-20-34/h5-8,11-18,21H,3-4,9-10,19-20H2,1-2H3,(H2,31,32,36)
InChIKeyANODRPTYUXHTBN-UHFFFAOYSA-N
MW495.63 g/mol
LogP7.17
Rot. Bonds7

About 1-[2-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-piperidin-1-ylphenyl)urea

1-[2-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-piperidin-1-ylphenyl)urea (PubChem CID 59830862) has the molecular formula C30H33N5O2 and a molecular weight of 495.63 g/mol. Its IUPAC name is 1-[2-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-piperidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[2-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-piperidin-1-ylphenyl)urea
PubChem CID59830862
Molecular FormulaC30H33N5O2
Molecular Weight495.63 g/mol
Exact Mass495.26
IUPAC Name1-[2-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-piperidin-1-ylphenyl)urea
SMILESCCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C30H33N5O2/c1-3-23-11-5-7-13-27(23)35-29(21-22(2)33-35)37-28-14-8-6-12-26(28)32-30(36)31-24-15-17-25(18-16-24)34-19-9-4-10-20-34/h5-8,11-18,21H,3-4,9-10,19-20H2,1-2H3,(H2,31,32,36)
InChIKeyANODRPTYUXHTBN-UHFFFAOYSA-N
XLogP7.17
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.63
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-3-[2-[2-(2-chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]urea
CID 59830865
CID 89232111
CID 89232111
tert-butyl 4-[4-[[2-[2-(2-chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]carbamoylamino]phenyl]piperidine-1-carboxylate
CID 69240648
1-[2-[2-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 24959401
2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 37480616
1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69448711
3-(2-ethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109036225
1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108992011
N-(4-piperidin-1-ylphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide
CID 108987317
1-ethyl-3-(4-piperidin-1-ylphenyl)urea
CID 108890460
1-(2-ethoxyphenyl)-3-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]urea
CID 172888667
1-(2-methoxyphenyl)-3-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]urea
CID 56921755

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-piperidin-1-ylphenyl)urea?
The IUPAC name of 1-[2-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-piperidin-1-ylphenyl)urea (CID 59830862) is 1-[2-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-piperidin-1-ylphenyl)urea.
What is the SMILES notation for 1-[2-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-piperidin-1-ylphenyl)urea?
The canonical SMILES for 1-[2-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-piperidin-1-ylphenyl)urea is CCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-[2-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-piperidin-1-ylphenyl)urea?
The InChIKey is ANODRPTYUXHTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O2/c1-3-23-11-5-7-13-27(23)35-29(21-22(2)33-35)37-28-14-8-6-12-26(28)32-30(36)31-24-15-17-25(18-16-24)34-19-9-4-10-20-34/h5-8,11-18,21H,3-4,9-10,19-20H2,1-2H3,(H2,31,32,36).
What are the key properties of 1-[2-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-piperidin-1-ylphenyl)urea?
1-[2-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-piperidin-1-ylphenyl)urea has a molecular weight of 495.63 g/mol, XLogP of 7.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-piperidin-1-ylphenyl)urea is sourced from PubChem (CID 59830862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).