[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone

C19H24N4O2 — CID 129461477

IUPAC[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
SMILESCOc1c([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2cccnc2)c(C)nn1C
InChIInChI=1S/C19H24N4O2/c1-12-17(19(25-3)22(2)21-12)16-7-5-9-23(16)18(24)15-10-14(15)13-6-4-8-20-11-13/h4,6,8,11,14-16H,5,7,9-10H2,1-3H3/t14-,15+,16-/m0/s1
InChIKeyGYNUUGNUCWCSME-XHSDSOJGSA-N
MW340.43 g/mol
LogP2.60
Rot. Bonds4

About [(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone

[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone (PubChem CID 129461477) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone.

Molecular Properties

Compound Name[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
PubChem CID129461477
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
SMILESCOc1c([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2cccnc2)c(C)nn1C
InChIInChI=1S/C19H24N4O2/c1-12-17(19(25-3)22(2)21-12)16-7-5-9-23(16)18(24)15-10-14(15)13-6-4-8-20-11-13/h4,6,8,11,14-16H,5,7,9-10H2,1-3H3/t14-,15+,16-/m0/s1
InChIKeyGYNUUGNUCWCSME-XHSDSOJGSA-N
XLogP2.60
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
CID 95750442
[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone
CID 95290618
[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95735818
[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95735934
[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 95736074
1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 95736080
[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone
CID 129490413
(2S)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 95736035
(2-cyclopropyl-1,3-thiazol-5-yl)-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95736144
1-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 95736099
1-(2-pyridin-3-ylpyrrolidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 43067423
(3-cyclopropylthiophen-2-yl)-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95736113

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone?
The IUPAC name of [(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone (CID 129461477) is [(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone.
What is the SMILES notation for [(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone?
The canonical SMILES for [(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone is COc1c([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2cccnc2)c(C)nn1C.
What is the InChIKey of [(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone?
The InChIKey is GYNUUGNUCWCSME-XHSDSOJGSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12-17(19(25-3)22(2)21-12)16-7-5-9-23(16)18(24)15-10-14(15)13-6-4-8-20-11-13/h4,6,8,11,14-16H,5,7,9-10H2,1-3H3/t14-,15+,16-/m0/s1.
What are the key properties of [(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone?
[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone has a molecular weight of 340.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone is sourced from PubChem (CID 129461477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).