[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone

C18H25N5O2 — CID 97471026

IUPAC[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESCn1cc(C[C@H]2[C@H](N3CCOCC3)CCN2C(=O)c2ccc[nH]2)cn1
InChIInChI=1S/C18H25N5O2/c1-21-13-14(12-20-21)11-17-16(22-7-9-25-10-8-22)4-6-23(17)18(24)15-3-2-5-19-15/h2-3,5,12-13,16-17,19H,4,6-11H2,1H3/t16-,17+/m1/s1
InChIKeyHDVGOURWXUYSRY-SJORKVTESA-N
MW343.43 g/mol
LogP0.91
Rot. Bonds4

About [(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone

[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 97471026) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is [(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID97471026
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESCn1cc(C[C@H]2[C@H](N3CCOCC3)CCN2C(=O)c2ccc[nH]2)cn1
InChIInChI=1S/C18H25N5O2/c1-21-13-14(12-20-21)11-17-16(22-7-9-25-10-8-22)4-6-23(17)18(24)15-3-2-5-19-15/h2-3,5,12-13,16-17,19H,4,6-11H2,1H3/t16-,17+/m1/s1
InChIKeyHDVGOURWXUYSRY-SJORKVTESA-N
XLogP0.91
TPSA66.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone (CID 97471026) is [(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone is Cn1cc(C[C@H]2[C@H](N3CCOCC3)CCN2C(=O)c2ccc[nH]2)cn1.
What is the InChIKey of [(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is HDVGOURWXUYSRY-SJORKVTESA-N. The full InChI is InChI=1S/C18H25N5O2/c1-21-13-14(12-20-21)11-17-16(22-7-9-25-10-8-22)4-6-23(17)18(24)15-3-2-5-19-15/h2-3,5,12-13,16-17,19H,4,6-11H2,1H3/t16-,17+/m1/s1.
What are the key properties of [(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone?
[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 343.43 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 97471026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).