1-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-3-pyridazin-4-ylurea

C11H11F3N6O — CID 154765477

IUPAC1-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-3-pyridazin-4-ylurea
SMILESCn1ncc(C(F)(F)F)c1CNC(=O)Nc1ccnnc1
InChIInChI=1S/C11H11F3N6O/c1-20-9(8(5-18-20)11(12,13)14)6-15-10(21)19-7-2-3-16-17-4-7/h2-5H,6H2,1H3,(H2,15,16,19,21)
InChIKeyZCGMVEANTGXBSB-UHFFFAOYSA-N
MW300.24 g/mol
LogP1.55
Rot. Bonds3

About 1-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-3-pyridazin-4-ylurea

1-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-3-pyridazin-4-ylurea (PubChem CID 154765477) has the molecular formula C11H11F3N6O and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-3-pyridazin-4-ylurea.

Molecular Properties

Compound Name1-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-3-pyridazin-4-ylurea
PubChem CID154765477
Molecular FormulaC11H11F3N6O
Molecular Weight300.24 g/mol
Exact Mass300.09
IUPAC Name1-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-3-pyridazin-4-ylurea
SMILESCn1ncc(C(F)(F)F)c1CNC(=O)Nc1ccnnc1
InChIInChI=1S/C11H11F3N6O/c1-20-9(8(5-18-20)11(12,13)14)6-15-10(21)19-7-2-3-16-17-4-7/h2-5H,6H2,1H3,(H2,15,16,19,21)
InChIKeyZCGMVEANTGXBSB-UHFFFAOYSA-N
XLogP1.55
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-3-pyridazin-4-ylurea?
The IUPAC name of 1-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-3-pyridazin-4-ylurea (CID 154765477) is 1-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-3-pyridazin-4-ylurea.
What is the SMILES notation for 1-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-3-pyridazin-4-ylurea?
The canonical SMILES for 1-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-3-pyridazin-4-ylurea is Cn1ncc(C(F)(F)F)c1CNC(=O)Nc1ccnnc1.
What is the InChIKey of 1-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-3-pyridazin-4-ylurea?
The InChIKey is ZCGMVEANTGXBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N6O/c1-20-9(8(5-18-20)11(12,13)14)6-15-10(21)19-7-2-3-16-17-4-7/h2-5H,6H2,1H3,(H2,15,16,19,21).
What are the key properties of 1-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-3-pyridazin-4-ylurea?
1-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-3-pyridazin-4-ylurea has a molecular weight of 300.24 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-3-pyridazin-4-ylurea is sourced from PubChem (CID 154765477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).