N,N-dimethyl-2-[7-(phenylcarbamoylamino)-4,5,6,7-tetrahydroindazol-2-yl]acetamide

C18H23N5O2 — CID 75475527

IUPACN,N-dimethyl-2-[7-(phenylcarbamoylamino)-4,5,6,7-tetrahydroindazol-2-yl]acetamide
SMILESCN(C)C(=O)Cn1cc2c(n1)C(NC(=O)Nc1ccccc1)CCC2
InChIInChI=1S/C18H23N5O2/c1-22(2)16(24)12-23-11-13-7-6-10-15(17(13)21-23)20-18(25)19-14-8-4-3-5-9-14/h3-5,8-9,11,15H,6-7,10,12H2,1-2H3,(H2,19,20,25)
InChIKeyOUPTXWYKIZDWAK-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.17
Rot. Bonds4

About N,N-dimethyl-2-[7-(phenylcarbamoylamino)-4,5,6,7-tetrahydroindazol-2-yl]acetamide

N,N-dimethyl-2-[7-(phenylcarbamoylamino)-4,5,6,7-tetrahydroindazol-2-yl]acetamide (PubChem CID 75475527) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[7-(phenylcarbamoylamino)-4,5,6,7-tetrahydroindazol-2-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[7-(phenylcarbamoylamino)-4,5,6,7-tetrahydroindazol-2-yl]acetamide
PubChem CID75475527
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN,N-dimethyl-2-[7-(phenylcarbamoylamino)-4,5,6,7-tetrahydroindazol-2-yl]acetamide
SMILESCN(C)C(=O)Cn1cc2c(n1)C(NC(=O)Nc1ccccc1)CCC2
InChIInChI=1S/C18H23N5O2/c1-22(2)16(24)12-23-11-13-7-6-10-15(17(13)21-23)20-18(25)19-14-8-4-3-5-9-14/h3-5,8-9,11,15H,6-7,10,12H2,1-2H3,(H2,19,20,25)
InChIKeyOUPTXWYKIZDWAK-UHFFFAOYSA-N
XLogP2.17
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[7-(phenylcarbamoylamino)-4,5,6,7-tetrahydroindazol-2-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[7-(phenylcarbamoylamino)-4,5,6,7-tetrahydroindazol-2-yl]acetamide (CID 75475527) is N,N-dimethyl-2-[7-(phenylcarbamoylamino)-4,5,6,7-tetrahydroindazol-2-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[7-(phenylcarbamoylamino)-4,5,6,7-tetrahydroindazol-2-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[7-(phenylcarbamoylamino)-4,5,6,7-tetrahydroindazol-2-yl]acetamide is CN(C)C(=O)Cn1cc2c(n1)C(NC(=O)Nc1ccccc1)CCC2.
What is the InChIKey of N,N-dimethyl-2-[7-(phenylcarbamoylamino)-4,5,6,7-tetrahydroindazol-2-yl]acetamide?
The InChIKey is OUPTXWYKIZDWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22(2)16(24)12-23-11-13-7-6-10-15(17(13)21-23)20-18(25)19-14-8-4-3-5-9-14/h3-5,8-9,11,15H,6-7,10,12H2,1-2H3,(H2,19,20,25).
What are the key properties of N,N-dimethyl-2-[7-(phenylcarbamoylamino)-4,5,6,7-tetrahydroindazol-2-yl]acetamide?
N,N-dimethyl-2-[7-(phenylcarbamoylamino)-4,5,6,7-tetrahydroindazol-2-yl]acetamide has a molecular weight of 341.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[7-(phenylcarbamoylamino)-4,5,6,7-tetrahydroindazol-2-yl]acetamide is sourced from PubChem (CID 75475527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).