1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea

C18H22F3N5O2 — CID 167937559

IUPAC1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea
SMILESCCc1[nH]nc(NC(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)c1C
InChIInChI=1S/C18H22F3N5O2/c1-3-14-11(2)16(25-24-14)23-17(27)22-15-5-4-12(10-13(15)18(19,20)21)26-6-8-28-9-7-26/h4-5,10H,3,6-9H2,1-2H3,(H3,22,23,24,25,27)
InChIKeyNONZBGZVFNXPBR-UHFFFAOYSA-N
MW397.40 g/mol
LogP3.78
Rot. Bonds4

About 1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea

1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea (PubChem CID 167937559) has the molecular formula C18H22F3N5O2 and a molecular weight of 397.40 g/mol. Its IUPAC name is 1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea
PubChem CID167937559
Molecular FormulaC18H22F3N5O2
Molecular Weight397.40 g/mol
Exact Mass397.17
IUPAC Name1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea
SMILESCCc1[nH]nc(NC(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)c1C
InChIInChI=1S/C18H22F3N5O2/c1-3-14-11(2)16(25-24-14)23-17(27)22-15-5-4-12(10-13(15)18(19,20)21)26-6-8-28-9-7-26/h4-5,10H,3,6-9H2,1-2H3,(H3,22,23,24,25,27)
InChIKeyNONZBGZVFNXPBR-UHFFFAOYSA-N
XLogP3.78
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[3-(Trifluoromethyl)anilino]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 134134171
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 75397335
1-(3-(6-Morpholinopyridazin-3-yl)phenyl)-3-(2-(trifluoromethyl)phenyl)urea
CID 43991972
5-morpholin-4-yl-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
CID 118735740
2,2,2-Trifluoro-1-[3-(3-methylanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 134146622
1H-Indazol-5-amine, 3-(4-morpholinyl)-, dihydrochloride
CID 3079857
3-Morpholino-1H-indazol-5-amine
CID 3079858
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-4-propylmorpholin-4-ium-4-carboxamide
CID 22479698
N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 58926856
N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide
CID 59173806
4-morpholin-4-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide
CID 59173964
1-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-sulfanylurea
CID 88073345

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea (CID 167937559) is 1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea is CCc1[nH]nc(NC(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)c1C.
What is the InChIKey of 1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea?
The InChIKey is NONZBGZVFNXPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O2/c1-3-14-11(2)16(25-24-14)23-17(27)22-15-5-4-12(10-13(15)18(19,20)21)26-6-8-28-9-7-26/h4-5,10H,3,6-9H2,1-2H3,(H3,22,23,24,25,27).
What are the key properties of 1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea?
1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea has a molecular weight of 397.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 167937559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).