(1Z)-1-(1-phenylpyridazin-4-ylidene)-3-[3-(trifluoromethyl)phenyl]urea

C18H13F3N4O — CID 21246254

IUPAC(1Z)-1-(1-phenylpyridazin-4-ylidene)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(/N=c1/ccn(-c2ccccc2)nc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H13F3N4O/c19-18(20,21)13-5-4-6-14(11-13)23-17(26)24-15-9-10-25(22-12-15)16-7-2-1-3-8-16/h1-12H,(H,23,26)/b24-15-
InChIKeyMPGZSHNRFJDLDU-IWIPYMOSSA-N
MW358.32 g/mol
LogP4.02
Rot. Bonds2

About (1Z)-1-(1-phenylpyridazin-4-ylidene)-3-[3-(trifluoromethyl)phenyl]urea

(1Z)-1-(1-phenylpyridazin-4-ylidene)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 21246254) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is (1Z)-1-(1-phenylpyridazin-4-ylidene)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name(1Z)-1-(1-phenylpyridazin-4-ylidene)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID21246254
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Name(1Z)-1-(1-phenylpyridazin-4-ylidene)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(/N=c1/ccn(-c2ccccc2)nc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H13F3N4O/c19-18(20,21)13-5-4-6-14(11-13)23-17(26)24-15-9-10-25(22-12-15)16-7-2-1-3-8-16/h1-12H,(H,23,26)/b24-15-
InChIKeyMPGZSHNRFJDLDU-IWIPYMOSSA-N
XLogP4.02
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-phenylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 10757758
1-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 20931902
(Z)-1,3-diphenyl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one
CID 53385273
5-amino-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 27262208
chlorobenzene;[3-(trifluoromethyl)phenyl]carbamic acid
CID 174624155
1-anilino-3-[3-(trifluoromethyl)phenyl]urea
CID 4549363
1-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 47264322
1-[5-fluoro-4-oxo-5-(trifluoromethyl)-1,3-thiazolidin-2-ylidene]-3-[3-(trifluoromethyl)phenyl]urea
CID 135517834
5-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 15944104
2-quinolin-2-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1278675
2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 19712457
1,3-bis[3-(trifluoromethyl)phenyl]thiourea
CID 2803092

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(1-phenylpyridazin-4-ylidene)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of (1Z)-1-(1-phenylpyridazin-4-ylidene)-3-[3-(trifluoromethyl)phenyl]urea (CID 21246254) is (1Z)-1-(1-phenylpyridazin-4-ylidene)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for (1Z)-1-(1-phenylpyridazin-4-ylidene)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for (1Z)-1-(1-phenylpyridazin-4-ylidene)-3-[3-(trifluoromethyl)phenyl]urea is O=C(/N=c1/ccn(-c2ccccc2)nc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of (1Z)-1-(1-phenylpyridazin-4-ylidene)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is MPGZSHNRFJDLDU-IWIPYMOSSA-N. The full InChI is InChI=1S/C18H13F3N4O/c19-18(20,21)13-5-4-6-14(11-13)23-17(26)24-15-9-10-25(22-12-15)16-7-2-1-3-8-16/h1-12H,(H,23,26)/b24-15-.
What are the key properties of (1Z)-1-(1-phenylpyridazin-4-ylidene)-3-[3-(trifluoromethyl)phenyl]urea?
(1Z)-1-(1-phenylpyridazin-4-ylidene)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 358.32 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(1-phenylpyridazin-4-ylidene)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 21246254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).