1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-methylurea;ethane

C10H16ClF3N4O — CID 142843248

IUPAC1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-methylurea;ethane
SMILESCC.CNC(=O)NCc1c(Cl)c(C(F)(F)F)nn1C
InChIInChI=1S/C8H10ClF3N4O.C2H6/c1-13-7(17)14-3-4-5(9)6(8(10,11)12)15-16(4)2;1-2/h3H2,1-2H3,(H2,13,14,17);1-2H3
InChIKeyDQAQIZBQFUIRDZ-UHFFFAOYSA-N
MW300.71 g/mol
LogP2.55
Rot. Bonds2

About 1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-methylurea;ethane

1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-methylurea;ethane (PubChem CID 142843248) has the molecular formula C10H16ClF3N4O and a molecular weight of 300.71 g/mol. Its IUPAC name is 1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-methylurea;ethane.

Molecular Properties

Compound Name1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-methylurea;ethane
PubChem CID142843248
Molecular FormulaC10H16ClF3N4O
Molecular Weight300.71 g/mol
Exact Mass300.10
IUPAC Name1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-methylurea;ethane
SMILESCC.CNC(=O)NCc1c(Cl)c(C(F)(F)F)nn1C
InChIInChI=1S/C8H10ClF3N4O.C2H6/c1-13-7(17)14-3-4-5(9)6(8(10,11)12)15-16(4)2;1-2/h3H2,1-2H3,(H2,13,14,17);1-2H3
InChIKeyDQAQIZBQFUIRDZ-UHFFFAOYSA-N
XLogP2.55
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-methylurea;ethane?
The IUPAC name of 1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-methylurea;ethane (CID 142843248) is 1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-methylurea;ethane.
What is the SMILES notation for 1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-methylurea;ethane?
The canonical SMILES for 1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-methylurea;ethane is CC.CNC(=O)NCc1c(Cl)c(C(F)(F)F)nn1C.
What is the InChIKey of 1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-methylurea;ethane?
The InChIKey is DQAQIZBQFUIRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N4O.C2H6/c1-13-7(17)14-3-4-5(9)6(8(10,11)12)15-16(4)2;1-2/h3H2,1-2H3,(H2,13,14,17);1-2H3.
What are the key properties of 1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-methylurea;ethane?
1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-methylurea;ethane has a molecular weight of 300.71 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-methylurea;ethane is sourced from PubChem (CID 142843248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).