4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzamide

C18H20N4O — CID 44570436

IUPAC4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzamide
SMILESCC(C)(C)NC(=O)c1ccc(-c2ccc3[nH]nc(N)c3c2)cc1
InChIInChI=1S/C18H20N4O/c1-18(2,3)20-17(23)12-6-4-11(5-7-12)13-8-9-15-14(10-13)16(19)22-21-15/h4-10H,1-3H3,(H,20,23)(H3,19,21,22)
InChIKeyCIKBLPHOAAJDCO-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.34
Rot. Bonds2

About 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzamide

4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzamide (PubChem CID 44570436) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzamide.

Molecular Properties

Compound Name4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzamide
PubChem CID44570436
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzamide
SMILESCC(C)(C)NC(=O)c1ccc(-c2ccc3[nH]nc(N)c3c2)cc1
InChIInChI=1S/C18H20N4O/c1-18(2,3)20-17(23)12-6-4-11(5-7-12)13-8-9-15-14(10-13)16(19)22-21-15/h4-10H,1-3H3,(H,20,23)(H3,19,21,22)
InChIKeyCIKBLPHOAAJDCO-UHFFFAOYSA-N
XLogP3.34
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzamide?
The IUPAC name of 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzamide (CID 44570436) is 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzamide.
What is the SMILES notation for 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzamide?
The canonical SMILES for 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzamide is CC(C)(C)NC(=O)c1ccc(-c2ccc3[nH]nc(N)c3c2)cc1.
What is the InChIKey of 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzamide?
The InChIKey is CIKBLPHOAAJDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-18(2,3)20-17(23)12-6-4-11(5-7-12)13-8-9-15-14(10-13)16(19)22-21-15/h4-10H,1-3H3,(H,20,23)(H3,19,21,22).
What are the key properties of 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzamide?
4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzamide has a molecular weight of 308.39 g/mol, XLogP of 3.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzamide is sourced from PubChem (CID 44570436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).