1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-(2-methoxyphenyl)urea

C18H21N5O2 — CID 2812683

IUPAC1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1nn(C)c2cccc(N(C)C)c12
InChIInChI=1S/C18H21N5O2/c1-22(2)13-9-7-10-14-16(13)17(21-23(14)3)20-18(24)19-12-8-5-6-11-15(12)25-4/h5-11H,1-4H3,(H2,19,20,21,24)
InChIKeyBZGVSJFWIFAMPD-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.29
Rot. Bonds4

About 1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-(2-methoxyphenyl)urea

1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-(2-methoxyphenyl)urea (PubChem CID 2812683) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-(2-methoxyphenyl)urea
PubChem CID2812683
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1nn(C)c2cccc(N(C)C)c12
InChIInChI=1S/C18H21N5O2/c1-22(2)13-9-7-10-14-16(13)17(21-23(14)3)20-18(24)19-12-8-5-6-11-15(12)25-4/h5-11H,1-4H3,(H2,19,20,21,24)
InChIKeyBZGVSJFWIFAMPD-UHFFFAOYSA-N
XLogP3.29
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-(2-methoxyphenyl)urea (CID 2812683) is 1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1nn(C)c2cccc(N(C)C)c12.
What is the InChIKey of 1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-(2-methoxyphenyl)urea?
The InChIKey is BZGVSJFWIFAMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-22(2)13-9-7-10-14-16(13)17(21-23(14)3)20-18(24)19-12-8-5-6-11-15(12)25-4/h5-11H,1-4H3,(H2,19,20,21,24).
What are the key properties of 1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-(2-methoxyphenyl)urea?
1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-(2-methoxyphenyl)urea has a molecular weight of 339.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 2812683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).