1-benzyl-1-(1H-pyrazol-5-ylmethyl)-3-(3,4,5-trifluorophenyl)urea

C18H15F3N4O — CID 146129449

IUPAC1-benzyl-1-(1H-pyrazol-5-ylmethyl)-3-(3,4,5-trifluorophenyl)urea
SMILESO=C(Nc1cc(F)c(F)c(F)c1)N(Cc1ccccc1)Cc1ccn[nH]1
InChIInChI=1S/C18H15F3N4O/c19-15-8-14(9-16(20)17(15)21)23-18(26)25(11-13-6-7-22-24-13)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,22,24)(H,23,26)
InChIKeyOKDYAXKAXIQRRC-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.06
Rot. Bonds5

About 1-benzyl-1-(1H-pyrazol-5-ylmethyl)-3-(3,4,5-trifluorophenyl)urea

1-benzyl-1-(1H-pyrazol-5-ylmethyl)-3-(3,4,5-trifluorophenyl)urea (PubChem CID 146129449) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is 1-benzyl-1-(1H-pyrazol-5-ylmethyl)-3-(3,4,5-trifluorophenyl)urea.

Molecular Properties

Compound Name1-benzyl-1-(1H-pyrazol-5-ylmethyl)-3-(3,4,5-trifluorophenyl)urea
PubChem CID146129449
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name1-benzyl-1-(1H-pyrazol-5-ylmethyl)-3-(3,4,5-trifluorophenyl)urea
SMILESO=C(Nc1cc(F)c(F)c(F)c1)N(Cc1ccccc1)Cc1ccn[nH]1
InChIInChI=1S/C18H15F3N4O/c19-15-8-14(9-16(20)17(15)21)23-18(26)25(11-13-6-7-22-24-13)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,22,24)(H,23,26)
InChIKeyOKDYAXKAXIQRRC-UHFFFAOYSA-N
XLogP4.06
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-benzyl-1-(1H-pyrazol-5-ylmethyl)-3-(3,4,5-trifluorophenyl)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

(2R)-N-benzyl-2-methoxy-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 97061659
N-benzyl-N-(1H-pyrazol-5-ylmethyl)oxirane-2-carboxamide
CID 154879911
1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea
CID 108989076
1-(2-aminoethyl)-1-benzyl-3-(4-fluorophenyl)urea
CID 61014415
1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]urea
CID 126711674
(2R)-N-benzyl-2-phenylmethoxy-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 95157473
N-benzyl-4,4,4-trifluoro-3-methoxy-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 166240629
1-benzyl-3-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]-1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 10743645
1,1-dibenzyl-3-(2-chloro-6-fluorophenyl)urea
CID 108896524
1-benzyl-3-(3-fluorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 1057646
3-[ethyl-[(3,4,5-trifluorophenyl)carbamoyl]amino]propanoic acid
CID 62814269
1-benzyl-3-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]-1-[[3-(1H-pyrazol-5-yl)phenyl]methyl]urea;hydrochloride
CID 67762341

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(1H-pyrazol-5-ylmethyl)-3-(3,4,5-trifluorophenyl)urea?
The IUPAC name of 1-benzyl-1-(1H-pyrazol-5-ylmethyl)-3-(3,4,5-trifluorophenyl)urea (CID 146129449) is 1-benzyl-1-(1H-pyrazol-5-ylmethyl)-3-(3,4,5-trifluorophenyl)urea.
What is the SMILES notation for 1-benzyl-1-(1H-pyrazol-5-ylmethyl)-3-(3,4,5-trifluorophenyl)urea?
The canonical SMILES for 1-benzyl-1-(1H-pyrazol-5-ylmethyl)-3-(3,4,5-trifluorophenyl)urea is O=C(Nc1cc(F)c(F)c(F)c1)N(Cc1ccccc1)Cc1ccn[nH]1.
What is the InChIKey of 1-benzyl-1-(1H-pyrazol-5-ylmethyl)-3-(3,4,5-trifluorophenyl)urea?
The InChIKey is OKDYAXKAXIQRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c19-15-8-14(9-16(20)17(15)21)23-18(26)25(11-13-6-7-22-24-13)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,22,24)(H,23,26).
What are the key properties of 1-benzyl-1-(1H-pyrazol-5-ylmethyl)-3-(3,4,5-trifluorophenyl)urea?
1-benzyl-1-(1H-pyrazol-5-ylmethyl)-3-(3,4,5-trifluorophenyl)urea has a molecular weight of 360.34 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(1H-pyrazol-5-ylmethyl)-3-(3,4,5-trifluorophenyl)urea is sourced from PubChem (CID 146129449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).