1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-phenylurea

C17H19N5O — CID 2812681

IUPAC1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-phenylurea
SMILESCN(C)c1cccc2c1c(NC(=O)Nc1ccccc1)nn2C
InChIInChI=1S/C17H19N5O/c1-21(2)13-10-7-11-14-15(13)16(20-22(14)3)19-17(23)18-12-8-5-4-6-9-12/h4-11H,1-3H3,(H2,18,19,20,23)
InChIKeyIXLBQQFFCVNEKR-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.28
Rot. Bonds3

About 1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-phenylurea

1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-phenylurea (PubChem CID 2812681) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-phenylurea
PubChem CID2812681
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-phenylurea
SMILESCN(C)c1cccc2c1c(NC(=O)Nc1ccccc1)nn2C
InChIInChI=1S/C17H19N5O/c1-21(2)13-10-7-11-14-15(13)16(20-22(14)3)19-17(23)18-12-8-5-4-6-9-12/h4-11H,1-3H3,(H2,18,19,20,23)
InChIKeyIXLBQQFFCVNEKR-UHFFFAOYSA-N
XLogP3.28
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-phenylurea?
The IUPAC name of 1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-phenylurea (CID 2812681) is 1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-phenylurea.
What is the SMILES notation for 1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-phenylurea?
The canonical SMILES for 1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-phenylurea is CN(C)c1cccc2c1c(NC(=O)Nc1ccccc1)nn2C.
What is the InChIKey of 1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-phenylurea?
The InChIKey is IXLBQQFFCVNEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-21(2)13-10-7-11-14-15(13)16(20-22(14)3)19-17(23)18-12-8-5-4-6-9-12/h4-11H,1-3H3,(H2,18,19,20,23).
What are the key properties of 1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-phenylurea?
1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-phenylurea has a molecular weight of 309.37 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-1-methylindazol-3-yl]-3-phenylurea is sourced from PubChem (CID 2812681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).