N-cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide

C18H17N3O — CID 10469531

IUPACN-cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C18H17N3O/c1-11-2-3-13(18(22)20-15-5-6-15)9-16(11)12-4-7-17-14(8-12)10-19-21-17/h2-4,7-10,15H,5-6H2,1H3,(H,19,21)(H,20,22)
InChIKeyHZKJOEBOIMSMJP-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.43
Rot. Bonds3

About N-cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide

N-cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide (PubChem CID 10469531) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide
PubChem CID10469531
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C18H17N3O/c1-11-2-3-13(18(22)20-15-5-6-15)9-16(11)12-4-7-17-14(8-12)10-19-21-17/h2-4,7-10,15H,5-6H2,1H3,(H,19,21)(H,20,22)
InChIKeyHZKJOEBOIMSMJP-UHFFFAOYSA-N
XLogP3.43
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide (CID 10469531) is N-cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2[nH]ncc2c1.
What is the InChIKey of N-cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide?
The InChIKey is HZKJOEBOIMSMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-11-2-3-13(18(22)20-15-5-6-15)9-16(11)12-4-7-17-14(8-12)10-19-21-17/h2-4,7-10,15H,5-6H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide?
N-cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide has a molecular weight of 291.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide is sourced from PubChem (CID 10469531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).