[(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone

C16H24N6O2 — CID 154767993

IUPAC[(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone
SMILESCCn1ncc(C(=O)N2C[C@H](OC)C[C@H]2Cn2ccc(N)n2)c1C
InChIInChI=1S/C16H24N6O2/c1-4-22-11(2)14(8-18-22)16(23)21-10-13(24-3)7-12(21)9-20-6-5-15(17)19-20/h5-6,8,12-13H,4,7,9-10H2,1-3H3,(H2,17,19)/t12-,13+/m0/s1
InChIKeyPZMRNUANDASXDN-QWHCGFSZSA-N
MW332.41 g/mol
LogP0.92
Rot. Bonds5

About [(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone

[(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone (PubChem CID 154767993) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is [(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone
PubChem CID154767993
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name[(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone
SMILESCCn1ncc(C(=O)N2C[C@H](OC)C[C@H]2Cn2ccc(N)n2)c1C
InChIInChI=1S/C16H24N6O2/c1-4-22-11(2)14(8-18-22)16(23)21-10-13(24-3)7-12(21)9-20-6-5-15(17)19-20/h5-6,8,12-13H,4,7,9-10H2,1-3H3,(H2,17,19)/t12-,13+/m0/s1
InChIKeyPZMRNUANDASXDN-QWHCGFSZSA-N
XLogP0.92
TPSA91.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 167924687
[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 154783729
[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-inden-4-yl)methanone
CID 154786293
1-[(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-2-fluoro-3-methylbut-2-en-1-one
CID 167893486
[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(3-methoxy-5-methyl-2-pyridinyl)methanone
CID 154786448
[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-[6-(cyclopropylamino)-3-pyridinyl]methanone
CID 154788241
[(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)methanone
CID 154768003
(E)-1-[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-3-(2-methylphenyl)but-2-en-1-one
CID 167796218
[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2,3-dihydro-1H-indol-5-yl)methanone
CID 154767975
1-[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-2-(1,3-benzodioxol-5-yl)ethanone
CID 167750094
[(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 154788739
(4-aminopyrimidin-5-yl)-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 128989672

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone?
The IUPAC name of [(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone (CID 154767993) is [(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone?
The canonical SMILES for [(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone is CCn1ncc(C(=O)N2C[C@H](OC)C[C@H]2Cn2ccc(N)n2)c1C.
What is the InChIKey of [(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone?
The InChIKey is PZMRNUANDASXDN-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-4-22-11(2)14(8-18-22)16(23)21-10-13(24-3)7-12(21)9-20-6-5-15(17)19-20/h5-6,8,12-13H,4,7,9-10H2,1-3H3,(H2,17,19)/t12-,13+/m0/s1.
What are the key properties of [(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone?
[(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone has a molecular weight of 332.41 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 154767993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).