1-[[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea

C19H14ClF3N6O — CID 162652946

IUPAC1-[[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea
SMILESO=C(NCc1cc(C(F)(F)F)nn1-c1ccc(Cl)cc1)Nc1cccc2[nH]ncc12
InChIInChI=1S/C19H14ClF3N6O/c20-11-4-6-12(7-5-11)29-13(8-17(28-29)19(21,22)23)9-24-18(30)26-15-2-1-3-16-14(15)10-25-27-16/h1-8,10H,9H2,(H,25,27)(H2,24,26,30)
InChIKeyVCKNWVFZYFUWBG-UHFFFAOYSA-N
MW434.81 g/mol
LogP4.74
Rot. Bonds4

About 1-[[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea

1-[[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea (PubChem CID 162652946) has the molecular formula C19H14ClF3N6O and a molecular weight of 434.81 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea
PubChem CID162652946
Molecular FormulaC19H14ClF3N6O
Molecular Weight434.81 g/mol
Exact Mass434.09
IUPAC Name1-[[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea
SMILESO=C(NCc1cc(C(F)(F)F)nn1-c1ccc(Cl)cc1)Nc1cccc2[nH]ncc12
InChIInChI=1S/C19H14ClF3N6O/c20-11-4-6-12(7-5-11)29-13(8-17(28-29)19(21,22)23)9-24-18(30)26-15-2-1-3-16-14(15)10-25-27-16/h1-8,10H,9H2,(H,25,27)(H2,24,26,30)
InChIKeyVCKNWVFZYFUWBG-UHFFFAOYSA-N
XLogP4.74
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.81
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea?
The IUPAC name of 1-[[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea (CID 162652946) is 1-[[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea?
The canonical SMILES for 1-[[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea is O=C(NCc1cc(C(F)(F)F)nn1-c1ccc(Cl)cc1)Nc1cccc2[nH]ncc12.
What is the InChIKey of 1-[[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea?
The InChIKey is VCKNWVFZYFUWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N6O/c20-11-4-6-12(7-5-11)29-13(8-17(28-29)19(21,22)23)9-24-18(30)26-15-2-1-3-16-14(15)10-25-27-16/h1-8,10H,9H2,(H,25,27)(H2,24,26,30).
What are the key properties of 1-[[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea?
1-[[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea has a molecular weight of 434.81 g/mol, XLogP of 4.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea is sourced from PubChem (CID 162652946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).