N-cyclopropyl-4-(2-methylpropoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide

C21H27N3O2 — CID 90382008

IUPACN-cyclopropyl-4-(2-methylpropoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
SMILESCC(C)COc1ccc(C(=O)N(C2CC2)C2CCc3[nH]ncc3C2)cc1
InChIInChI=1S/C21H27N3O2/c1-14(2)13-26-19-8-3-15(4-9-19)21(25)24(17-5-6-17)18-7-10-20-16(11-18)12-22-23-20/h3-4,8-9,12,14,17-18H,5-7,10-11,13H2,1-2H3,(H,22,23)
InChIKeyBADRYDDYQSMVTC-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.61
Rot. Bonds6

About N-cyclopropyl-4-(2-methylpropoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide

N-cyclopropyl-4-(2-methylpropoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide (PubChem CID 90382008) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-cyclopropyl-4-(2-methylpropoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2-methylpropoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
PubChem CID90382008
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-cyclopropyl-4-(2-methylpropoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
SMILESCC(C)COc1ccc(C(=O)N(C2CC2)C2CCc3[nH]ncc3C2)cc1
InChIInChI=1S/C21H27N3O2/c1-14(2)13-26-19-8-3-15(4-9-19)21(25)24(17-5-6-17)18-7-10-20-16(11-18)12-22-23-20/h3-4,8-9,12,14,17-18H,5-7,10-11,13H2,1-2H3,(H,22,23)
InChIKeyBADRYDDYQSMVTC-UHFFFAOYSA-N
XLogP3.61
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 90378315
6-(azidomethoxy)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)naphthalene-2-carboxamide
CID 90378103
N-cyclopropyl-4-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 90382071
N-cyclopropyl-1-(1-phenylethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)indazole-4-carboxamide
CID 90370081
N,N-dicyclohexyl-4-ethoxybenzamide
CID 4227580
N-cyclopropyl-5-methyl-1-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrazole-4-carboxamide
CID 90381890
N,N-diethyl-4-(2-methylpropoxy)benzamide
CID 60635917
N-cyclopropyl-N-(4-oxocyclohexyl)-4-propan-2-yloxybenzamide
CID 90370061
2-[methyl-[4-(2-methylpropoxy)benzoyl]amino]acetic acid
CID 43239741
N-cyclopropyl-4-[(1S)-1-phenylethoxy]-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
CID 149276157
N-ethyl-3-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1-benzothiophene-2-carboxamide
CID 90378366
[2-[cyclopropyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 7704087

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2-methylpropoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-(2-methylpropoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide (CID 90382008) is N-cyclopropyl-4-(2-methylpropoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(2-methylpropoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-(2-methylpropoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide is CC(C)COc1ccc(C(=O)N(C2CC2)C2CCc3[nH]ncc3C2)cc1.
What is the InChIKey of N-cyclopropyl-4-(2-methylpropoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
The InChIKey is BADRYDDYQSMVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14(2)13-26-19-8-3-15(4-9-19)21(25)24(17-5-6-17)18-7-10-20-16(11-18)12-22-23-20/h3-4,8-9,12,14,17-18H,5-7,10-11,13H2,1-2H3,(H,22,23).
What are the key properties of N-cyclopropyl-4-(2-methylpropoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
N-cyclopropyl-4-(2-methylpropoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide has a molecular weight of 353.47 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2-methylpropoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide is sourced from PubChem (CID 90382008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).