(5S)-5-(cyclopentylamino)-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C19H32N4O — CID 26226882

IUPAC(5S)-5-(cyclopentylamino)-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@H](NC1CCCC1)C2
InChIInChI=1S/C19H32N4O/c1-13(2)12-23-17-10-9-15(20-14-7-5-6-8-14)11-16(17)18(21-23)19(24)22(3)4/h13-15,20H,5-12H2,1-4H3/t15-/m0/s1
InChIKeyDBYGUTHASKOXLM-HNNXBMFYSA-N
MW332.49 g/mol
LogP2.63
Rot. Bonds5

About (5S)-5-(cyclopentylamino)-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

(5S)-5-(cyclopentylamino)-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 26226882) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is (5S)-5-(cyclopentylamino)-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name(5S)-5-(cyclopentylamino)-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID26226882
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name(5S)-5-(cyclopentylamino)-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@H](NC1CCCC1)C2
InChIInChI=1S/C19H32N4O/c1-13(2)12-23-17-10-9-15(20-14-7-5-6-8-14)11-16(17)18(21-23)19(24)22(3)4/h13-15,20H,5-12H2,1-4H3/t15-/m0/s1
InChIKeyDBYGUTHASKOXLM-HNNXBMFYSA-N
XLogP2.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-(cycloheptylamino)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26231873
[5-(cyclopropylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45162178
1-(cyclohexylmethyl)-N,N-dimethyl-5-(propan-2-ylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45159679
1-benzyl-N,N-dimethyl-5-(2-methylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165410
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
(5R)-5-[(1-benzylpiperidin-4-yl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26222484
[5-(3-methylbutylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45162186
[5-(cyclopropylmethylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45163430
(5S)-1-(cyclohexylmethyl)-5-(cyclopropylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26229502
1-(cyclohexylmethyl)-N,N-dimethyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45159941
5-[(3-methoxyphenyl)methyl-methylamino]-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165471

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(cyclopentylamino)-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of (5S)-5-(cyclopentylamino)-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 26226882) is (5S)-5-(cyclopentylamino)-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for (5S)-5-(cyclopentylamino)-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for (5S)-5-(cyclopentylamino)-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@H](NC1CCCC1)C2.
What is the InChIKey of (5S)-5-(cyclopentylamino)-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is DBYGUTHASKOXLM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-13(2)12-23-17-10-9-15(20-14-7-5-6-8-14)11-16(17)18(21-23)19(24)22(3)4/h13-15,20H,5-12H2,1-4H3/t15-/m0/s1.
What are the key properties of (5S)-5-(cyclopentylamino)-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
(5S)-5-(cyclopentylamino)-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 332.49 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(cyclopentylamino)-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 26226882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).