1-(1-ethyl-3-methylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea

C12H18N6O — CID 118762532

IUPAC1-(1-ethyl-3-methylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCCn1cc(NC(=O)NCc2cnn(C)c2)c(C)n1
InChIInChI=1S/C12H18N6O/c1-4-18-8-11(9(2)16-18)15-12(19)13-5-10-6-14-17(3)7-10/h6-8H,4-5H2,1-3H3,(H2,13,15,19)
InChIKeySJILOVKVJTZNTC-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.27
Rot. Bonds4

About 1-(1-ethyl-3-methylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea

1-(1-ethyl-3-methylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 118762532) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-(1-ethyl-3-methylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-ethyl-3-methylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
PubChem CID118762532
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name1-(1-ethyl-3-methylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCCn1cc(NC(=O)NCc2cnn(C)c2)c(C)n1
InChIInChI=1S/C12H18N6O/c1-4-18-8-11(9(2)16-18)15-12(19)13-5-10-6-14-17(3)7-10/h6-8H,4-5H2,1-3H3,(H2,13,15,19)
InChIKeySJILOVKVJTZNTC-UHFFFAOYSA-N
XLogP1.27
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea (CID 118762532) is 1-(1-ethyl-3-methylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(1-ethyl-3-methylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-(1-ethyl-3-methylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea is CCn1cc(NC(=O)NCc2cnn(C)c2)c(C)n1.
What is the InChIKey of 1-(1-ethyl-3-methylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is SJILOVKVJTZNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-4-18-8-11(9(2)16-18)15-12(19)13-5-10-6-14-17(3)7-10/h6-8H,4-5H2,1-3H3,(H2,13,15,19).
What are the key properties of 1-(1-ethyl-3-methylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea?
1-(1-ethyl-3-methylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 262.32 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-methylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 118762532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).