N-[(3R,4S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-2-ethoxyacetamide

C19H32N4O2 — CID 72916914

IUPACN-[(3R,4S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)N[C@H]1CN(Cc2cnn(C)c2C2CC2)C[C@@H]1C(C)C
InChIInChI=1S/C19H32N4O2/c1-5-25-12-18(24)21-17-11-23(10-16(17)13(2)3)9-15-8-20-22(4)19(15)14-6-7-14/h8,13-14,16-17H,5-7,9-12H2,1-4H3,(H,21,24)/t16-,17+/m1/s1
InChIKeyQXNVZRLIHUORJY-SJORKVTESA-N
MW348.49 g/mol
LogP1.91
Rot. Bonds8

About N-[(3R,4S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-2-ethoxyacetamide

N-[(3R,4S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-2-ethoxyacetamide (PubChem CID 72916914) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[(3R,4S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-2-ethoxyacetamide
PubChem CID72916914
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-[(3R,4S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)N[C@H]1CN(Cc2cnn(C)c2C2CC2)C[C@@H]1C(C)C
InChIInChI=1S/C19H32N4O2/c1-5-25-12-18(24)21-17-11-23(10-16(17)13(2)3)9-15-8-20-22(4)19(15)14-6-7-14/h8,13-14,16-17H,5-7,9-12H2,1-4H3,(H,21,24)/t16-,17+/m1/s1
InChIKeyQXNVZRLIHUORJY-SJORKVTESA-N
XLogP1.91
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-2-ethoxyacetamide?
The IUPAC name of N-[(3R,4S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-2-ethoxyacetamide (CID 72916914) is N-[(3R,4S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-2-ethoxyacetamide.
What is the SMILES notation for N-[(3R,4S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-2-ethoxyacetamide?
The canonical SMILES for N-[(3R,4S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-2-ethoxyacetamide is CCOCC(=O)N[C@H]1CN(Cc2cnn(C)c2C2CC2)C[C@@H]1C(C)C.
What is the InChIKey of N-[(3R,4S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-2-ethoxyacetamide?
The InChIKey is QXNVZRLIHUORJY-SJORKVTESA-N. The full InChI is InChI=1S/C19H32N4O2/c1-5-25-12-18(24)21-17-11-23(10-16(17)13(2)3)9-15-8-20-22(4)19(15)14-6-7-14/h8,13-14,16-17H,5-7,9-12H2,1-4H3,(H,21,24)/t16-,17+/m1/s1.
What are the key properties of N-[(3R,4S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-2-ethoxyacetamide?
N-[(3R,4S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-2-ethoxyacetamide has a molecular weight of 348.49 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-2-ethoxyacetamide is sourced from PubChem (CID 72916914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).