(5S)-1-(cyclohexylmethyl)-5-(cyclopropylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

C19H30N4O — CID 26229502

IUPAC(5S)-1-(cyclohexylmethyl)-5-(cyclopropylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCNC(=O)c1nn(CC2CCCCC2)c2c1C[C@@H](NC1CC1)CC2
InChIInChI=1S/C19H30N4O/c1-20-19(24)18-16-11-15(21-14-7-8-14)9-10-17(16)23(22-18)12-13-5-3-2-4-6-13/h13-15,21H,2-12H2,1H3,(H,20,24)/t15-/m0/s1
InChIKeyAHYOBDHLEPLOSW-HNNXBMFYSA-N
MW330.48 g/mol
LogP2.43
Rot. Bonds5

About (5S)-1-(cyclohexylmethyl)-5-(cyclopropylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

(5S)-1-(cyclohexylmethyl)-5-(cyclopropylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 26229502) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is (5S)-1-(cyclohexylmethyl)-5-(cyclopropylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name(5S)-1-(cyclohexylmethyl)-5-(cyclopropylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID26229502
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name(5S)-1-(cyclohexylmethyl)-5-(cyclopropylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCNC(=O)c1nn(CC2CCCCC2)c2c1C[C@@H](NC1CC1)CC2
InChIInChI=1S/C19H30N4O/c1-20-19(24)18-16-11-15(21-14-7-8-14)9-10-17(16)23(22-18)12-13-5-3-2-4-6-13/h13-15,21H,2-12H2,1H3,(H,20,24)/t15-/m0/s1
InChIKeyAHYOBDHLEPLOSW-HNNXBMFYSA-N
XLogP2.43
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-1-(cyclohexylmethyl)-5-(2-methoxyethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26228743
1-(cyclohexylmethyl)-5-(furan-2-ylmethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164082
5-(cyclohexylamino)-N-methyl-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162719
1-(cyclohexylmethyl)-N,N-dimethyl-5-(propan-2-ylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45159679
azepan-1-yl-[(5R)-5-(cyclopentylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 26228789
[5-(cyclooctylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 45165260
5-(3-ethoxypropylamino)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162613
[5-(cyclopropylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45162178
(5S)-5-(cyclopentylamino)-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26226882
(5R)-5-(cycloheptylamino)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26231873
1-(cyclohexylmethyl)-N,N-dimethyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45159941
5-(azocan-1-yl)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45163019

Frequently Asked Questions

What is the IUPAC name of (5S)-1-(cyclohexylmethyl)-5-(cyclopropylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of (5S)-1-(cyclohexylmethyl)-5-(cyclopropylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 26229502) is (5S)-1-(cyclohexylmethyl)-5-(cyclopropylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for (5S)-1-(cyclohexylmethyl)-5-(cyclopropylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for (5S)-1-(cyclohexylmethyl)-5-(cyclopropylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@@H](NC1CC1)CC2.
What is the InChIKey of (5S)-1-(cyclohexylmethyl)-5-(cyclopropylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is AHYOBDHLEPLOSW-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-20-19(24)18-16-11-15(21-14-7-8-14)9-10-17(16)23(22-18)12-13-5-3-2-4-6-13/h13-15,21H,2-12H2,1H3,(H,20,24)/t15-/m0/s1.
What are the key properties of (5S)-1-(cyclohexylmethyl)-5-(cyclopropylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
(5S)-1-(cyclohexylmethyl)-5-(cyclopropylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(cyclohexylmethyl)-5-(cyclopropylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 26229502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).