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

C19H23FN4O2 — CID 70756793

IUPACN-[(3S,4R)-1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3ccccc3F)n[nH]2)C[C@H]1C(C)C
InChIInChI=1S/C19H23FN4O2/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/h4-8,11,14,18H,9-10H2,1-3H3,(H,21,25)(H,22,23)/t14-,18+/m0/s1
InChIKeyXCHPASPOMQNQDV-KBXCAEBGSA-N
MW358.42 g/mol
LogP2.45
Rot. Bonds4

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

N-[(3S,4R)-1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide (PubChem CID 70756793) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[(3S,4R)-1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
PubChem CID70756793
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC NameN-[(3S,4R)-1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3ccccc3F)n[nH]2)C[C@H]1C(C)C
InChIInChI=1S/C19H23FN4O2/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/h4-8,11,14,18H,9-10H2,1-3H3,(H,21,25)(H,22,23)/t14-,18+/m0/s1
InChIKeyXCHPASPOMQNQDV-KBXCAEBGSA-N
XLogP2.45
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide (CID 70756793) is N-[(3S,4R)-1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(C(=O)c2cc(-c3ccccc3F)n[nH]2)C[C@H]1C(C)C.
What is the InChIKey of N-[(3S,4R)-1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The InChIKey is XCHPASPOMQNQDV-KBXCAEBGSA-N. The full InChI is InChI=1S/C19H23FN4O2/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/h4-8,11,14,18H,9-10H2,1-3H3,(H,21,25)(H,22,23)/t14-,18+/m0/s1.
What are the key properties of N-[(3S,4R)-1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide has a molecular weight of 358.42 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70756793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).