N-(1-adamantyl)-1-cyclohexyl-5-(dimethylcarbamoylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide

C27H41N5O2 — CID 68908222

IUPACN-(1-adamantyl)-1-cyclohexyl-5-(dimethylcarbamoylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCN(C)C(=O)NC1CCc2c(c(C(=O)NC34CC5CC(CC(C5)C3)C4)nn2C2CCCCC2)C1
InChIInChI=1S/C27H41N5O2/c1-31(2)26(34)28-20-8-9-23-22(13-20)24(30-32(23)21-6-4-3-5-7-21)25(33)29-27-14-17-10-18(15-27)12-19(11-17)16-27/h17-21H,3-16H2,1-2H3,(H,28,34)(H,29,33)
InChIKeySKBHAXUALWJYOG-UHFFFAOYSA-N
MW467.66 g/mol
LogP4.22
Rot. Bonds4

About N-(1-adamantyl)-1-cyclohexyl-5-(dimethylcarbamoylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide

N-(1-adamantyl)-1-cyclohexyl-5-(dimethylcarbamoylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 68908222) has the molecular formula C27H41N5O2 and a molecular weight of 467.66 g/mol. Its IUPAC name is N-(1-adamantyl)-1-cyclohexyl-5-(dimethylcarbamoylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-cyclohexyl-5-(dimethylcarbamoylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID68908222
Molecular FormulaC27H41N5O2
Molecular Weight467.66 g/mol
Exact Mass467.33
IUPAC NameN-(1-adamantyl)-1-cyclohexyl-5-(dimethylcarbamoylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCN(C)C(=O)NC1CCc2c(c(C(=O)NC34CC5CC(CC(C5)C3)C4)nn2C2CCCCC2)C1
InChIInChI=1S/C27H41N5O2/c1-31(2)26(34)28-20-8-9-23-22(13-20)24(30-32(23)21-6-4-3-5-7-21)25(33)29-27-14-17-10-18(15-27)12-19(11-17)16-27/h17-21H,3-16H2,1-2H3,(H,28,34)(H,29,33)
InChIKeySKBHAXUALWJYOG-UHFFFAOYSA-N
XLogP4.22
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.66
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-adamantyl)-5-amino-1-cyclohexyl-4,5,6,7-tetrahydroindazole-3-carboxamide;N-(2-adamantyl)-1-cyclohexyl-5-(dimethylcarbamoylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide;N,N-dimethylcarbamoyl chloride
CID 159521218
N-[1-(1-adamantyl)ethyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 66647671
N-[1-(1-adamantyl)ethyl]-1-cyclopentyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide
CID 16660513
propan-2-yl 3-(2-adamantylcarbamoyl)-1-cyclohexyl-4,5,6,7-tetrahydroindazole-5-carboxylate
CID 59836336
(1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl) N-[1-(1-adamantyl)ethyl]carbamate
CID 66647544
ethyl 7-[(1-cyclohexyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carbonyl)amino]tricyclo[4.2.0.01,3]octane-7-carboxylate
CID 70850439
(5S)-N-(1-adamantyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 40622051
1-(1-adamantyl)-3-cyclododecylurea
CID 22978783
1-(1-adamantyl)-3-(4-oxocyclohexyl)urea
CID 16756507
1-cyclohexyl-N-[(1R)-1-cyclohexylethyl]-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 71017183
1-cyclohexyl-N-[(1R)-1-phenylpropyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 59836372
N-(5-acetamido-2-adamantyl)-5-chloro-1-cyclohexylpyrazole-4-carboxamide
CID 58972825

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-cyclohexyl-5-(dimethylcarbamoylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-cyclohexyl-5-(dimethylcarbamoylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 68908222) is N-(1-adamantyl)-1-cyclohexyl-5-(dimethylcarbamoylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-cyclohexyl-5-(dimethylcarbamoylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-cyclohexyl-5-(dimethylcarbamoylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide is CN(C)C(=O)NC1CCc2c(c(C(=O)NC34CC5CC(CC(C5)C3)C4)nn2C2CCCCC2)C1.
What is the InChIKey of N-(1-adamantyl)-1-cyclohexyl-5-(dimethylcarbamoylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is SKBHAXUALWJYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N5O2/c1-31(2)26(34)28-20-8-9-23-22(13-20)24(30-32(23)21-6-4-3-5-7-21)25(33)29-27-14-17-10-18(15-27)12-19(11-17)16-27/h17-21H,3-16H2,1-2H3,(H,28,34)(H,29,33).
What are the key properties of N-(1-adamantyl)-1-cyclohexyl-5-(dimethylcarbamoylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide?
N-(1-adamantyl)-1-cyclohexyl-5-(dimethylcarbamoylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 467.66 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-cyclohexyl-5-(dimethylcarbamoylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 68908222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).