N-cyclopropyl-4-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide

C21H25N3O2 — CID 90378315

IUPACN-cyclopropyl-4-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
SMILESO=C(c1ccc(OCC2CC2)cc1)N(C1CC1)C1CCc2[nH]ncc2C1
InChIInChI=1S/C21H25N3O2/c25-21(15-3-8-19(9-4-15)26-13-14-1-2-14)24(17-5-6-17)18-7-10-20-16(11-18)12-22-23-20/h3-4,8-9,12,14,17-18H,1-2,5-7,10-11,13H2,(H,22,23)
InChIKeyJFOLOOYJEXPFCL-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.36
Rot. Bonds6

About N-cyclopropyl-4-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide

N-cyclopropyl-4-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide (PubChem CID 90378315) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-cyclopropyl-4-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
PubChem CID90378315
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-cyclopropyl-4-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
SMILESO=C(c1ccc(OCC2CC2)cc1)N(C1CC1)C1CCc2[nH]ncc2C1
InChIInChI=1S/C21H25N3O2/c25-21(15-3-8-19(9-4-15)26-13-14-1-2-14)24(17-5-6-17)18-7-10-20-16(11-18)12-22-23-20/h3-4,8-9,12,14,17-18H,1-2,5-7,10-11,13H2,(H,22,23)
InChIKeyJFOLOOYJEXPFCL-UHFFFAOYSA-N
XLogP3.36
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide (CID 90378315) is N-cyclopropyl-4-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide is O=C(c1ccc(OCC2CC2)cc1)N(C1CC1)C1CCc2[nH]ncc2C1.
What is the InChIKey of N-cyclopropyl-4-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
The InChIKey is JFOLOOYJEXPFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-21(15-3-8-19(9-4-15)26-13-14-1-2-14)24(17-5-6-17)18-7-10-20-16(11-18)12-22-23-20/h3-4,8-9,12,14,17-18H,1-2,5-7,10-11,13H2,(H,22,23).
What are the key properties of N-cyclopropyl-4-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
N-cyclopropyl-4-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide is sourced from PubChem (CID 90378315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).