1-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(2-propan-2-ylindazol-5-yl)urea

C18H29N5O — CID 84599294

IUPAC1-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(2-propan-2-ylindazol-5-yl)urea
SMILESCC(C)N(CCN(C)C)C(=O)Nc1ccc2nn(C(C)C)cc2c1
InChIInChI=1S/C18H29N5O/c1-13(2)22(10-9-21(5)6)18(24)19-16-7-8-17-15(11-16)12-23(20-17)14(3)4/h7-8,11-14H,9-10H2,1-6H3,(H,19,24)
InChIKeyMOUOQGDOWOVTJU-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.42
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(2-propan-2-ylindazol-5-yl)urea

1-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(2-propan-2-ylindazol-5-yl)urea (PubChem CID 84599294) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(2-propan-2-ylindazol-5-yl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(2-propan-2-ylindazol-5-yl)urea
PubChem CID84599294
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name1-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(2-propan-2-ylindazol-5-yl)urea
SMILESCC(C)N(CCN(C)C)C(=O)Nc1ccc2nn(C(C)C)cc2c1
InChIInChI=1S/C18H29N5O/c1-13(2)22(10-9-21(5)6)18(24)19-16-7-8-17-15(11-16)12-23(20-17)14(3)4/h7-8,11-14H,9-10H2,1-6H3,(H,19,24)
InChIKeyMOUOQGDOWOVTJU-UHFFFAOYSA-N
XLogP3.42
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(2-propan-2-ylindazol-5-yl)urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(2-propan-2-ylindazol-5-yl)urea (CID 84599294) is 1-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(2-propan-2-ylindazol-5-yl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(2-propan-2-ylindazol-5-yl)urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(2-propan-2-ylindazol-5-yl)urea is CC(C)N(CCN(C)C)C(=O)Nc1ccc2nn(C(C)C)cc2c1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(2-propan-2-ylindazol-5-yl)urea?
The InChIKey is MOUOQGDOWOVTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-13(2)22(10-9-21(5)6)18(24)19-16-7-8-17-15(11-16)12-23(20-17)14(3)4/h7-8,11-14H,9-10H2,1-6H3,(H,19,24).
What are the key properties of 1-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(2-propan-2-ylindazol-5-yl)urea?
1-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(2-propan-2-ylindazol-5-yl)urea has a molecular weight of 331.46 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1-propan-2-yl-3-(2-propan-2-ylindazol-5-yl)urea is sourced from PubChem (CID 84599294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).