1-cyclohexyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea

C14H21F3N4O — CID 17026411

IUPAC1-cyclohexyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)NC1CCCCC1
InChIInChI=1S/C14H21F3N4O/c1-10-9-12(14(15,16)17)20-21(10)8-7-18-13(22)19-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H2,18,19,22)
InChIKeyCZGMADVQUQAQMT-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.84
Rot. Bonds4

About 1-cyclohexyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea

1-cyclohexyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea (PubChem CID 17026411) has the molecular formula C14H21F3N4O and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea
PubChem CID17026411
Molecular FormulaC14H21F3N4O
Molecular Weight318.34 g/mol
Exact Mass318.17
IUPAC Name1-cyclohexyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)NC1CCCCC1
InChIInChI=1S/C14H21F3N4O/c1-10-9-12(14(15,16)17)20-21(10)8-7-18-13(22)19-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H2,18,19,22)
InChIKeyCZGMADVQUQAQMT-UHFFFAOYSA-N
XLogP2.84
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea (CID 17026411) is 1-cyclohexyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea is Cc1cc(C(F)(F)F)nn1CCNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea?
The InChIKey is CZGMADVQUQAQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O/c1-10-9-12(14(15,16)17)20-21(10)8-7-18-13(22)19-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H2,18,19,22).
What are the key properties of 1-cyclohexyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea?
1-cyclohexyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea has a molecular weight of 318.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea is sourced from PubChem (CID 17026411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).