(5-methyl-2-pentan-3-ylpyrazol-3-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone

C17H26N6O — CID 120949713

IUPAC(5-methyl-2-pentan-3-ylpyrazol-3-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCCC(CC)n1nc(C)cc1C(=O)N1CCC[C@H]1Cn1ccnn1
InChIInChI=1S/C17H26N6O/c1-4-14(5-2)23-16(11-13(3)19-23)17(24)22-9-6-7-15(22)12-21-10-8-18-20-21/h8,10-11,14-15H,4-7,9,12H2,1-3H3/t15-/m0/s1
InChIKeyFOLCXEKSDUPBKO-HNNXBMFYSA-N
MW330.44 g/mol
LogP2.45
Rot. Bonds6

About (5-methyl-2-pentan-3-ylpyrazol-3-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone

(5-methyl-2-pentan-3-ylpyrazol-3-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 120949713) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is (5-methyl-2-pentan-3-ylpyrazol-3-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-2-pentan-3-ylpyrazol-3-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID120949713
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name(5-methyl-2-pentan-3-ylpyrazol-3-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCCC(CC)n1nc(C)cc1C(=O)N1CCC[C@H]1Cn1ccnn1
InChIInChI=1S/C17H26N6O/c1-4-14(5-2)23-16(11-13(3)19-23)17(24)22-9-6-7-15(22)12-21-10-8-18-20-21/h8,10-11,14-15H,4-7,9,12H2,1-3H3/t15-/m0/s1
InChIKeyFOLCXEKSDUPBKO-HNNXBMFYSA-N
XLogP2.45
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(1S,7S)-8-azabicyclo[5.2.0]nonan-8-yl]-(5-methyl-2-pentan-3-ylpyrazol-3-yl)methanone
CID 124860613
(1-cyclopentyl-5-methylpyrazol-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949755
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 120949721
6-propan-2-yl-4-[(2S)-2-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 120949756
(1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 97254794
[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949557
(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949655
(5-cyclopropyl-1H-pyrazol-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949596
(5-chloro-2-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949586
(3-chloro-4-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949710
(2-methoxypyrimidin-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 136586362
1-benzofuran-2-yl-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949540

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-pentan-3-ylpyrazol-3-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-methyl-2-pentan-3-ylpyrazol-3-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 120949713) is (5-methyl-2-pentan-3-ylpyrazol-3-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-2-pentan-3-ylpyrazol-3-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-methyl-2-pentan-3-ylpyrazol-3-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone is CCC(CC)n1nc(C)cc1C(=O)N1CCC[C@H]1Cn1ccnn1.
What is the InChIKey of (5-methyl-2-pentan-3-ylpyrazol-3-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is FOLCXEKSDUPBKO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-4-14(5-2)23-16(11-13(3)19-23)17(24)22-9-6-7-15(22)12-21-10-8-18-20-21/h8,10-11,14-15H,4-7,9,12H2,1-3H3/t15-/m0/s1.
What are the key properties of (5-methyl-2-pentan-3-ylpyrazol-3-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
(5-methyl-2-pentan-3-ylpyrazol-3-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 330.44 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-pentan-3-ylpyrazol-3-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 120949713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).