N-[(3S,4R)-1-[5-(2-fluorophenyl)pyrazolidine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide

C19H27FN4O2 — CID 133118412

IUPACN-[(3S,4R)-1-[5-(2-fluorophenyl)pyrazolidine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)C2CC(c3ccccc3F)NN2)C[C@H]1C(C)C
InChIInChI=1S/C19H27FN4O2/c1-11(2)14-9-24(10-18(14)21-12(3)25)19(26)17-8-16(22-23-17)13-6-4-5-7-15(13)20/h4-7,11,14,16-18,22-23H,8-10H2,1-3H3,(H,21,25)/t14-,16?,17?,18+/m0/s1
InChIKeyFHWJGMFLGBXLID-IWCVFHTOSA-N
MW362.45 g/mol
LogP1.35
Rot. Bonds4

About N-[(3S,4R)-1-[5-(2-fluorophenyl)pyrazolidine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-[5-(2-fluorophenyl)pyrazolidine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide (PubChem CID 133118412) has the molecular formula C19H27FN4O2 and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[(3S,4R)-1-[5-(2-fluorophenyl)pyrazolidine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[5-(2-fluorophenyl)pyrazolidine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
PubChem CID133118412
Molecular FormulaC19H27FN4O2
Molecular Weight362.45 g/mol
Exact Mass362.21
IUPAC NameN-[(3S,4R)-1-[5-(2-fluorophenyl)pyrazolidine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)C2CC(c3ccccc3F)NN2)C[C@H]1C(C)C
InChIInChI=1S/C19H27FN4O2/c1-11(2)14-9-24(10-18(14)21-12(3)25)19(26)17-8-16(22-23-17)13-6-4-5-7-15(13)20/h4-7,11,14,16-18,22-23H,8-10H2,1-3H3,(H,21,25)/t14-,16?,17?,18+/m0/s1
InChIKeyFHWJGMFLGBXLID-IWCVFHTOSA-N
XLogP1.35
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[5-(2-fluorophenyl)pyrazolidine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-[5-(2-fluorophenyl)pyrazolidine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide (CID 133118412) is N-[(3S,4R)-1-[5-(2-fluorophenyl)pyrazolidine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-[5-(2-fluorophenyl)pyrazolidine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-[5-(2-fluorophenyl)pyrazolidine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(C(=O)C2CC(c3ccccc3F)NN2)C[C@H]1C(C)C.
What is the InChIKey of N-[(3S,4R)-1-[5-(2-fluorophenyl)pyrazolidine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The InChIKey is FHWJGMFLGBXLID-IWCVFHTOSA-N. The full InChI is InChI=1S/C19H27FN4O2/c1-11(2)14-9-24(10-18(14)21-12(3)25)19(26)17-8-16(22-23-17)13-6-4-5-7-15(13)20/h4-7,11,14,16-18,22-23H,8-10H2,1-3H3,(H,21,25)/t14-,16?,17?,18+/m0/s1.
What are the key properties of N-[(3S,4R)-1-[5-(2-fluorophenyl)pyrazolidine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-[5-(2-fluorophenyl)pyrazolidine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide has a molecular weight of 362.45 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[5-(2-fluorophenyl)pyrazolidine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 133118412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).