1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea

C19H19F3N6O — CID 96525218

IUPAC1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N[C@H]1CCC[C@@H]1n1ccnc1
InChIInChI=1S/C19H19F3N6O/c20-19(21,22)13-5-6-17(28-9-2-7-24-28)15(11-13)26-18(29)25-14-3-1-4-16(14)27-10-8-23-12-27/h2,5-12,14,16H,1,3-4H2,(H2,25,26,29)/t14-,16-/m0/s1
InChIKeyBYSDLYVTSCOPHK-HOCLYGCPSA-N
MW404.40 g/mol
LogP4.00
Rot. Bonds4

About 1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea

1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea (PubChem CID 96525218) has the molecular formula C19H19F3N6O and a molecular weight of 404.40 g/mol. Its IUPAC name is 1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea
PubChem CID96525218
Molecular FormulaC19H19F3N6O
Molecular Weight404.40 g/mol
Exact Mass404.16
IUPAC Name1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N[C@H]1CCC[C@@H]1n1ccnc1
InChIInChI=1S/C19H19F3N6O/c20-19(21,22)13-5-6-17(28-9-2-7-24-28)15(11-13)26-18(29)25-14-3-1-4-16(14)27-10-8-23-12-27/h2,5-12,14,16H,1,3-4H2,(H2,25,26,29)/t14-,16-/m0/s1
InChIKeyBYSDLYVTSCOPHK-HOCLYGCPSA-N
XLogP4.00
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

1-(3-chloro-4-pyrazol-1-ylphenyl)-3-[(1R,2S)-2-imidazol-1-ylcyclopentyl]urea
CID 96529213
3-fluoro-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-4-pyrazol-1-ylbenzamide
CID 95572970
2-cyclopentyloxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 51117583
1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 111107523
1-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 75512170
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725448
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 46616677
1-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122074970
4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725796
N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
CID 172916327
1-(3-cyanophenyl)-3-[(1R,2R)-2-imidazol-1-ylcyclopentyl]urea
CID 95760446
1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-(4-methoxyphenyl)urea
CID 95760441

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea (CID 96525218) is 1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea is O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N[C@H]1CCC[C@@H]1n1ccnc1.
What is the InChIKey of 1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea?
The InChIKey is BYSDLYVTSCOPHK-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H19F3N6O/c20-19(21,22)13-5-6-17(28-9-2-7-24-28)15(11-13)26-18(29)25-14-3-1-4-16(14)27-10-8-23-12-27/h2,5-12,14,16H,1,3-4H2,(H2,25,26,29)/t14-,16-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea?
1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea has a molecular weight of 404.40 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 96525218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).