1-(7-methyl-1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea

C17H15F3N4O — CID 22337684

IUPAC1-(7-methyl-1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESCc1ccc(NC(=O)NCc2ccc(C(F)(F)F)cc2)c2cn[nH]c12
InChIInChI=1S/C17H15F3N4O/c1-10-2-7-14(13-9-22-24-15(10)13)23-16(25)21-8-11-3-5-12(6-4-11)17(18,19)20/h2-7,9H,8H2,1H3,(H,22,24)(H2,21,23,25)
InChIKeyUXPZXPONKINKIE-UHFFFAOYSA-N
MW348.33 g/mol
LogP4.21
Rot. Bonds3

About 1-(7-methyl-1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea

1-(7-methyl-1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 22337684) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 1-(7-methyl-1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(7-methyl-1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
PubChem CID22337684
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name1-(7-methyl-1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESCc1ccc(NC(=O)NCc2ccc(C(F)(F)F)cc2)c2cn[nH]c12
InChIInChI=1S/C17H15F3N4O/c1-10-2-7-14(13-9-22-24-15(10)13)23-16(25)21-8-11-3-5-12(6-4-11)17(18,19)20/h2-7,9H,8H2,1H3,(H,22,24)(H2,21,23,25)
InChIKeyUXPZXPONKINKIE-UHFFFAOYSA-N
XLogP4.21
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 3822404
1-(2-ethylphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 3667887
1-[(2-amino-6-methyl-4-pyridinyl)methyl]-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
CID 154846523
2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 25402863
1-(1,3-benzothiazol-7-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 11371577
1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 110894292
1-pentan-3-yl-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 134001787
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
1-[[2-(3,3-dimethylbutyl)-4-(trifluoromethyl)phenyl]methyl]-3-(1H-indazol-4-yl)urea
CID 46890601
1-(1H-indazol-4-yl)-3-[[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]urea
CID 162661041
1-[(5-amino-1H-pyrazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 79530725
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-(7-methyl-1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea (CID 22337684) is 1-(7-methyl-1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(7-methyl-1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(7-methyl-1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea is Cc1ccc(NC(=O)NCc2ccc(C(F)(F)F)cc2)c2cn[nH]c12.
What is the InChIKey of 1-(7-methyl-1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is UXPZXPONKINKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c1-10-2-7-14(13-9-22-24-15(10)13)23-16(25)21-8-11-3-5-12(6-4-11)17(18,19)20/h2-7,9H,8H2,1H3,(H,22,24)(H2,21,23,25).
What are the key properties of 1-(7-methyl-1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
1-(7-methyl-1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 348.33 g/mol, XLogP of 4.21, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 22337684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).