N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide

C17H19FN4O2 — CID 146681894

IUPACN-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide
SMILESO=C(N[C@H](CO)c1cccc(F)c1)C1CC(c2ccncc2)NN1
InChIInChI=1S/C17H19FN4O2/c18-13-3-1-2-12(8-13)16(10-23)20-17(24)15-9-14(21-22-15)11-4-6-19-7-5-11/h1-8,14-16,21-23H,9-10H2,(H,20,24)/t14?,15?,16-/m1/s1
InChIKeyQTQOSPPIKVWZJP-UYSNPLJNSA-N
MW330.36 g/mol
LogP0.98
Rot. Bonds5

About N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide

N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide (PubChem CID 146681894) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide
PubChem CID146681894
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide
SMILESO=C(N[C@H](CO)c1cccc(F)c1)C1CC(c2ccncc2)NN1
InChIInChI=1S/C17H19FN4O2/c18-13-3-1-2-12(8-13)16(10-23)20-17(24)15-9-14(21-22-15)11-4-6-19-7-5-11/h1-8,14-16,21-23H,9-10H2,(H,20,24)/t14?,15?,16-/m1/s1
InChIKeyQTQOSPPIKVWZJP-UYSNPLJNSA-N
XLogP0.98
TPSA86.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide (CID 146681894) is N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide is O=C(N[C@H](CO)c1cccc(F)c1)C1CC(c2ccncc2)NN1.
What is the InChIKey of N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The InChIKey is QTQOSPPIKVWZJP-UYSNPLJNSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-13-3-1-2-12(8-13)16(10-23)20-17(24)15-9-14(21-22-15)11-4-6-19-7-5-11/h1-8,14-16,21-23H,9-10H2,(H,20,24)/t14?,15?,16-/m1/s1.
What are the key properties of N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide?
N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 146681894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).