1-benzyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide

C25H27N3O — CID 167862011

IUPAC1-benzyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCCc2c1cnn2Cc1ccccc1)C1(Cc2ccccc2)CC1
InChIInChI=1S/C25H27N3O/c29-24(25(14-15-25)16-19-8-3-1-4-9-19)27-22-12-7-13-23-21(22)17-26-28(23)18-20-10-5-2-6-11-20/h1-6,8-11,17,22H,7,12-16,18H2,(H,27,29)
InChIKeyJSHWGIFLFNRFEE-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.45
Rot. Bonds6

About 1-benzyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide

1-benzyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 167862011) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-benzyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide
PubChem CID167862011
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name1-benzyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCCc2c1cnn2Cc1ccccc1)C1(Cc2ccccc2)CC1
InChIInChI=1S/C25H27N3O/c29-24(25(14-15-25)16-19-8-3-1-4-9-19)27-22-12-7-13-23-21(22)17-26-28(23)18-20-10-5-2-6-11-20/h1-6,8-11,17,22H,7,12-16,18H2,(H,27,29)
InChIKeyJSHWGIFLFNRFEE-UHFFFAOYSA-N
XLogP4.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366
1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea
CID 94187302
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 31897688
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide
CID 94241603
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide
CID 46402155
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-iodobenzamide
CID 55620439
3-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 166180370
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1,4-thiazepane-4-carboxamide
CID 87007748
1-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methylphenyl)urea
CID 51939747
1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-hydroxybutan-2-yl)urea
CID 110892499
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide
CID 31897730
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2,5-difluorobenzamide
CID 31899002

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-benzyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide (CID 167862011) is 1-benzyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-benzyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-benzyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide is O=C(NC1CCCc2c1cnn2Cc1ccccc1)C1(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is JSHWGIFLFNRFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c29-24(25(14-15-25)16-19-8-3-1-4-9-19)27-22-12-7-13-23-21(22)17-26-28(23)18-20-10-5-2-6-11-20/h1-6,8-11,17,22H,7,12-16,18H2,(H,27,29).
What are the key properties of 1-benzyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide?
1-benzyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 167862011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).