1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]urea

C15H24N6O2 — CID 97438308

IUPAC1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]urea
SMILESCCc1nn(C)c(NC(=O)N[C@H](COC)c2ccnn2C)c1C
InChIInChI=1S/C15H24N6O2/c1-6-11-10(2)14(21(4)19-11)18-15(22)17-12(9-23-5)13-7-8-16-20(13)3/h7-8,12H,6,9H2,1-5H3,(H2,17,18,22)/t12-/m1/s1
InChIKeyJFKJCBCIAWVQEP-GFCCVEGCSA-N
MW320.40 g/mol
LogP1.53
Rot. Bonds6

About 1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]urea

1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]urea (PubChem CID 97438308) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]urea
PubChem CID97438308
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]urea
SMILESCCc1nn(C)c(NC(=O)N[C@H](COC)c2ccnn2C)c1C
InChIInChI=1S/C15H24N6O2/c1-6-11-10(2)14(21(4)19-11)18-15(22)17-12(9-23-5)13-7-8-16-20(13)3/h7-8,12H,6,9H2,1-5H3,(H2,17,18,22)/t12-/m1/s1
InChIKeyJFKJCBCIAWVQEP-GFCCVEGCSA-N
XLogP1.53
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]urea?
The IUPAC name of 1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]urea (CID 97438308) is 1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]urea?
The canonical SMILES for 1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]urea is CCc1nn(C)c(NC(=O)N[C@H](COC)c2ccnn2C)c1C.
What is the InChIKey of 1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]urea?
The InChIKey is JFKJCBCIAWVQEP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-6-11-10(2)14(21(4)19-11)18-15(22)17-12(9-23-5)13-7-8-16-20(13)3/h7-8,12H,6,9H2,1-5H3,(H2,17,18,22)/t12-/m1/s1.
What are the key properties of 1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]urea?
1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]urea has a molecular weight of 320.40 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]urea is sourced from PubChem (CID 97438308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).