[(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-[4-(triazol-1-ylmethyl)phenyl]methanone

C20H24N4O — CID 136586859

IUPAC[(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-[4-(triazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(Cn2ccnn2)cc1)N1C[C@H](C2CC2)C[C@@H]1C1CC1
InChIInChI=1S/C20H24N4O/c25-20(17-3-1-14(2-4-17)12-23-10-9-21-22-23)24-13-18(15-5-6-15)11-19(24)16-7-8-16/h1-4,9-10,15-16,18-19H,5-8,11-13H2/t18-,19-/m1/s1
InChIKeyUUHHUXJOGHNRQE-RTBURBONSA-N
MW336.44 g/mol
LogP2.98
Rot. Bonds5

About [(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-[4-(triazol-1-ylmethyl)phenyl]methanone

[(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-[4-(triazol-1-ylmethyl)phenyl]methanone (PubChem CID 136586859) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is [(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-[4-(triazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-[4-(triazol-1-ylmethyl)phenyl]methanone
PubChem CID136586859
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name[(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-[4-(triazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(Cn2ccnn2)cc1)N1C[C@H](C2CC2)C[C@@H]1C1CC1
InChIInChI=1S/C20H24N4O/c25-20(17-3-1-14(2-4-17)12-23-10-9-21-22-23)24-13-18(15-5-6-15)11-19(24)16-7-8-16/h1-4,9-10,15-16,18-19H,5-8,11-13H2/t18-,19-/m1/s1
InChIKeyUUHHUXJOGHNRQE-RTBURBONSA-N
XLogP2.98
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-[4-(triazol-1-ylmethyl)phenyl]methanone with MolForge

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Related Compounds

1-adamantylmethyl 4-(triazol-1-ylmethyl)benzoate
CID 166319204
[(2S,4S)-2-cyclohexyl-4-hydroxypyrrolidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 97248007
(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-[4-(pyridin-4-ylamino)phenyl]methanone
CID 166189282
1-[(4-nitrosophenyl)methyl]triazole
CID 129064924
4-(triazol-1-ylmethyl)pyridine
CID 91272686
1-benzyltriazole
CID 141250243
[4-(pyrazol-1-ylmethyl)phenyl]-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95347004
(4aR,7aS)-6-methyl-1-[5-(triazol-1-ylmethyl)furan-2-carbonyl]-2,3,4,4a,7,7a-hexahydropyrrolo[3,4-b]pyridin-5-one
CID 136586377
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[4-(aminomethyl)phenyl]methanone
CID 43627930
[4-(tetrazol-1-ylmethyl)phenyl]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 95148870
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 30938195
[(1R,4S,7R)-7-ethoxy-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-4-ylmethanone
CID 124828123

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-[4-(triazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of [(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-[4-(triazol-1-ylmethyl)phenyl]methanone (CID 136586859) is [(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-[4-(triazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-[4-(triazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-[4-(triazol-1-ylmethyl)phenyl]methanone is O=C(c1ccc(Cn2ccnn2)cc1)N1C[C@H](C2CC2)C[C@@H]1C1CC1.
What is the InChIKey of [(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-[4-(triazol-1-ylmethyl)phenyl]methanone?
The InChIKey is UUHHUXJOGHNRQE-RTBURBONSA-N. The full InChI is InChI=1S/C20H24N4O/c25-20(17-3-1-14(2-4-17)12-23-10-9-21-22-23)24-13-18(15-5-6-15)11-19(24)16-7-8-16/h1-4,9-10,15-16,18-19H,5-8,11-13H2/t18-,19-/m1/s1.
What are the key properties of [(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-[4-(triazol-1-ylmethyl)phenyl]methanone?
[(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-[4-(triazol-1-ylmethyl)phenyl]methanone has a molecular weight of 336.44 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-[4-(triazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 136586859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).