1-(cyclohexylmethyl)-5-(furan-2-ylmethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

C21H30N4O2 — CID 45164082

IUPAC1-(cyclohexylmethyl)-5-(furan-2-ylmethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCNC(=O)c1nn(CC2CCCCC2)c2c1CC(NCc1ccco1)CC2
InChIInChI=1S/C21H30N4O2/c1-22-21(26)20-18-12-16(23-13-17-8-5-11-27-17)9-10-19(18)25(24-20)14-15-6-3-2-4-7-15/h5,8,11,15-16,23H,2-4,6-7,9-10,12-14H2,1H3,(H,22,26)
InChIKeyOCIIPCWMYFCYKU-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.06
Rot. Bonds6

About 1-(cyclohexylmethyl)-5-(furan-2-ylmethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

1-(cyclohexylmethyl)-5-(furan-2-ylmethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 45164082) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-(furan-2-ylmethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-(furan-2-ylmethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID45164082
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name1-(cyclohexylmethyl)-5-(furan-2-ylmethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCNC(=O)c1nn(CC2CCCCC2)c2c1CC(NCc1ccco1)CC2
InChIInChI=1S/C21H30N4O2/c1-22-21(26)20-18-12-16(23-13-17-8-5-11-27-17)9-10-19(18)25(24-20)14-15-6-3-2-4-7-15/h5,8,11,15-16,23H,2-4,6-7,9-10,12-14H2,1H3,(H,22,26)
InChIKeyOCIIPCWMYFCYKU-UHFFFAOYSA-N
XLogP3.06
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-1-(cyclohexylmethyl)-5-(cyclopropylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26229502
[1-ethyl-5-(furan-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone
CID 45164963
1-(cyclohexylmethyl)-N,N-dimethyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45159941
1-(cyclohexylmethyl)-N,N-dimethyl-5-(pyridin-3-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45161112
5-(cyclohexylamino)-N-methyl-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162719
1-(cyclohexylmethyl)-N,N-dimethyl-5-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45159389
5-(3-ethoxypropylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162613
N-methyl-5-(2-methylpropylamino)-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160989
1-(cyclohexylmethyl)-N,N-dimethyl-5-(propan-2-ylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45159679
(5S)-1-benzyl-N-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26232541
5-(2-acetamidoethylamino)-N-methyl-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160583
1-ethyl-N-(furan-2-ylmethyl)-5-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165066

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-(furan-2-ylmethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-5-(furan-2-ylmethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 45164082) is 1-(cyclohexylmethyl)-5-(furan-2-ylmethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-(furan-2-ylmethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-5-(furan-2-ylmethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is CNC(=O)c1nn(CC2CCCCC2)c2c1CC(NCc1ccco1)CC2.
What is the InChIKey of 1-(cyclohexylmethyl)-5-(furan-2-ylmethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is OCIIPCWMYFCYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-22-21(26)20-18-12-16(23-13-17-8-5-11-27-17)9-10-19(18)25(24-20)14-15-6-3-2-4-7-15/h5,8,11,15-16,23H,2-4,6-7,9-10,12-14H2,1H3,(H,22,26).
What are the key properties of 1-(cyclohexylmethyl)-5-(furan-2-ylmethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-(cyclohexylmethyl)-5-(furan-2-ylmethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-(furan-2-ylmethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 45164082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).