1-(1-ethylindol-6-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea

C18H23N5O — CID 86816676

IUPAC1-(1-ethylindol-6-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
SMILESCCn1ccc2ccc(NC(=O)NC(C)Cc3cc(C)[nH]n3)cc21
InChIInChI=1S/C18H23N5O/c1-4-23-8-7-14-5-6-15(11-17(14)23)20-18(24)19-12(2)9-16-10-13(3)21-22-16/h5-8,10-12H,4,9H2,1-3H3,(H,21,22)(H2,19,20,24)
InChIKeyVBOFVLLGLZYPCJ-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.45
Rot. Bonds5

About 1-(1-ethylindol-6-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea

1-(1-ethylindol-6-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea (PubChem CID 86816676) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-(1-ethylindol-6-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(1-ethylindol-6-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
PubChem CID86816676
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-(1-ethylindol-6-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
SMILESCCn1ccc2ccc(NC(=O)NC(C)Cc3cc(C)[nH]n3)cc21
InChIInChI=1S/C18H23N5O/c1-4-23-8-7-14-5-6-15(11-17(14)23)20-18(24)19-12(2)9-16-10-13(3)21-22-16/h5-8,10-12H,4,9H2,1-3H3,(H,21,22)(H2,19,20,24)
InChIKeyVBOFVLLGLZYPCJ-UHFFFAOYSA-N
XLogP3.45
TPSA74.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylindol-6-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
The IUPAC name of 1-(1-ethylindol-6-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea (CID 86816676) is 1-(1-ethylindol-6-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea.
What is the SMILES notation for 1-(1-ethylindol-6-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
The canonical SMILES for 1-(1-ethylindol-6-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea is CCn1ccc2ccc(NC(=O)NC(C)Cc3cc(C)[nH]n3)cc21.
What is the InChIKey of 1-(1-ethylindol-6-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
The InChIKey is VBOFVLLGLZYPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-4-23-8-7-14-5-6-15(11-17(14)23)20-18(24)19-12(2)9-16-10-13(3)21-22-16/h5-8,10-12H,4,9H2,1-3H3,(H,21,22)(H2,19,20,24).
What are the key properties of 1-(1-ethylindol-6-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
1-(1-ethylindol-6-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea has a molecular weight of 325.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylindol-6-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea is sourced from PubChem (CID 86816676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).