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

C19H24F3N7O — CID 66644415

IUPAC1-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea
SMILESCCCN(CCC)n1nc(C(F)(F)F)cc1CNC(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C19H24F3N7O/c1-3-8-28(9-4-2)29-13(10-17(27-29)19(20,21)22)11-23-18(30)25-15-6-5-7-16-14(15)12-24-26-16/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,24,26)(H2,23,25,30)
InChIKeyTYQXEBDAFOEJAK-UHFFFAOYSA-N
MW423.44 g/mol
LogP3.86
Rot. Bonds8

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

1-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea (PubChem CID 66644415) has the molecular formula C19H24F3N7O and a molecular weight of 423.44 g/mol. Its IUPAC name is 1-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea.

Molecular Properties

Compound Name1-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea
PubChem CID66644415
Molecular FormulaC19H24F3N7O
Molecular Weight423.44 g/mol
Exact Mass423.20
IUPAC Name1-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea
SMILESCCCN(CCC)n1nc(C(F)(F)F)cc1CNC(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C19H24F3N7O/c1-3-8-28(9-4-2)29-13(10-17(27-29)19(20,21)22)11-23-18(30)25-15-6-5-7-16-14(15)12-24-26-16/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,24,26)(H2,23,25,30)
InChIKeyTYQXEBDAFOEJAK-UHFFFAOYSA-N
XLogP3.86
TPSA90.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea with MolForge

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Related Compounds

1-(1H-indazol-4-yl)-3-[[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]urea
CID 162661041
1-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea
CID 162660450
1-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea
CID 162663368
1-[[2-(2,2-dimethylpropoxy)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(1H-indazol-4-yl)urea
CID 46890522
1-[[2-(3,3-dimethylbutyl)-4-(trifluoromethyl)phenyl]methyl]-3-(1H-indazol-4-yl)urea
CID 46890601
1-(5-chloro-1H-indazol-4-yl)-3-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea
CID 66644366
1-(1H-indazol-4-yl)-3-[[2-phenoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 46890519
N-(1H-indazol-4-yl)pentanamide
CID 110479421
1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1H-indazol-4-yl)urea
CID 11383021
3-(dimethylamino)-N-(1H-indazol-4-yl)propanamide
CID 110481555
2-(dimethylamino)-N-(1H-indazol-4-yl)acetamide
CID 110479732
1-[[4-(8-azabicyclo[3.2.1]octan-8-yl)-3-fluorophenyl]methyl]-3-(1H-indazol-4-yl)urea
CID 22337705

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea?
The IUPAC name of 1-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea (CID 66644415) is 1-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea.
What is the SMILES notation for 1-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea?
The canonical SMILES for 1-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea is CCCN(CCC)n1nc(C(F)(F)F)cc1CNC(=O)Nc1cccc2[nH]ncc12.
What is the InChIKey of 1-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea?
The InChIKey is TYQXEBDAFOEJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N7O/c1-3-8-28(9-4-2)29-13(10-17(27-29)19(20,21)22)11-23-18(30)25-15-6-5-7-16-14(15)12-24-26-16/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,24,26)(H2,23,25,30).
What are the key properties of 1-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea?
1-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea has a molecular weight of 423.44 g/mol, XLogP of 3.86, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dipropylamino)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea is sourced from PubChem (CID 66644415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).