N-[1-[(3S)-1-[(2R)-2-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide

C15H22N4O3 — CID 129326625

IUPACN-[1-[(3S)-1-[(2R)-2-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn([C@H]2CCN(C(=O)[C@@]3(C)CCCO3)C2)n1
InChIInChI=1S/C15H22N4O3/c1-11(20)16-13-5-8-19(17-13)12-4-7-18(10-12)14(21)15(2)6-3-9-22-15/h5,8,12H,3-4,6-7,9-10H2,1-2H3,(H,16,17,20)/t12-,15+/m0/s1
InChIKeyLUNUIGLACMHGJN-SWLSCSKDSA-N
MW306.37 g/mol
LogP1.18
Rot. Bonds3

About N-[1-[(3S)-1-[(2R)-2-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide

N-[1-[(3S)-1-[(2R)-2-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide (PubChem CID 129326625) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[1-[(3S)-1-[(2R)-2-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3S)-1-[(2R)-2-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
PubChem CID129326625
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-[1-[(3S)-1-[(2R)-2-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn([C@H]2CCN(C(=O)[C@@]3(C)CCCO3)C2)n1
InChIInChI=1S/C15H22N4O3/c1-11(20)16-13-5-8-19(17-13)12-4-7-18(10-12)14(21)15(2)6-3-9-22-15/h5,8,12H,3-4,6-7,9-10H2,1-2H3,(H,16,17,20)/t12-,15+/m0/s1
InChIKeyLUNUIGLACMHGJN-SWLSCSKDSA-N
XLogP1.18
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S)-1-[(2R)-2-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[(3S)-1-[(2R)-2-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide (CID 129326625) is N-[1-[(3S)-1-[(2R)-2-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[(3S)-1-[(2R)-2-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[(3S)-1-[(2R)-2-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccn([C@H]2CCN(C(=O)[C@@]3(C)CCCO3)C2)n1.
What is the InChIKey of N-[1-[(3S)-1-[(2R)-2-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The InChIKey is LUNUIGLACMHGJN-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-11(20)16-13-5-8-19(17-13)12-4-7-18(10-12)14(21)15(2)6-3-9-22-15/h5,8,12H,3-4,6-7,9-10H2,1-2H3,(H,16,17,20)/t12-,15+/m0/s1.
What are the key properties of N-[1-[(3S)-1-[(2R)-2-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
N-[1-[(3S)-1-[(2R)-2-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide has a molecular weight of 306.37 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S)-1-[(2R)-2-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 129326625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).