N-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]acetamide

C18H20N4O — CID 23134486

IUPACN-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]acetamide
SMILESCC(=O)Nc1c(-c2ccc(C(C)(C)N)cc2)ccc2[nH]ncc12
InChIInChI=1S/C18H20N4O/c1-11(23)21-17-14(8-9-16-15(17)10-20-22-16)12-4-6-13(7-5-12)18(2,3)19/h4-10H,19H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyBJTFVQJXQOTHTJ-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.38
Rot. Bonds3

About N-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]acetamide

N-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]acetamide (PubChem CID 23134486) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]acetamide
PubChem CID23134486
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]acetamide
SMILESCC(=O)Nc1c(-c2ccc(C(C)(C)N)cc2)ccc2[nH]ncc12
InChIInChI=1S/C18H20N4O/c1-11(23)21-17-14(8-9-16-15(17)10-20-22-16)12-4-6-13(7-5-12)18(2,3)19/h4-10H,19H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyBJTFVQJXQOTHTJ-UHFFFAOYSA-N
XLogP3.38
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]acetamide?
The IUPAC name of N-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]acetamide (CID 23134486) is N-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]acetamide.
What is the SMILES notation for N-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]acetamide?
The canonical SMILES for N-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]acetamide is CC(=O)Nc1c(-c2ccc(C(C)(C)N)cc2)ccc2[nH]ncc12.
What is the InChIKey of N-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]acetamide?
The InChIKey is BJTFVQJXQOTHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-11(23)21-17-14(8-9-16-15(17)10-20-22-16)12-4-6-13(7-5-12)18(2,3)19/h4-10H,19H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]acetamide?
N-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]acetamide has a molecular weight of 308.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]acetamide is sourced from PubChem (CID 23134486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).