N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyrazol-1-ylpropanamide

C11H18N4O2 — CID 43593952

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyrazol-1-ylpropanamide
SMILESCO[C@H]1CNCC1NC(=O)C(C)n1cccn1
InChIInChI=1S/C11H18N4O2/c1-8(15-5-3-4-13-15)11(16)14-9-6-12-7-10(9)17-2/h3-5,8-10,12H,6-7H2,1-2H3,(H,14,16)/t8?,9?,10-/m0/s1
InChIKeySXRQMAFPCRREFW-RTBKNWGFSA-N
MW238.29 g/mol
LogP-0.45
Rot. Bonds4

About N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyrazol-1-ylpropanamide

N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyrazol-1-ylpropanamide (PubChem CID 43593952) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyrazol-1-ylpropanamide
PubChem CID43593952
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyrazol-1-ylpropanamide
SMILESCO[C@H]1CNCC1NC(=O)C(C)n1cccn1
InChIInChI=1S/C11H18N4O2/c1-8(15-5-3-4-13-15)11(16)14-9-6-12-7-10(9)17-2/h3-5,8-10,12H,6-7H2,1-2H3,(H,14,16)/t8?,9?,10-/m0/s1
InChIKeySXRQMAFPCRREFW-RTBKNWGFSA-N
XLogP-0.45
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyrazol-1-ylpropanamide (CID 43593952) is N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyrazol-1-ylpropanamide is CO[C@H]1CNCC1NC(=O)C(C)n1cccn1.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyrazol-1-ylpropanamide?
The InChIKey is SXRQMAFPCRREFW-RTBKNWGFSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8(15-5-3-4-13-15)11(16)14-9-6-12-7-10(9)17-2/h3-5,8-10,12H,6-7H2,1-2H3,(H,14,16)/t8?,9?,10-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyrazol-1-ylpropanamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyrazol-1-ylpropanamide has a molecular weight of 238.29 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 43593952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).