N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide

C18H23FN4O2 — CID 75448354

IUPACN-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCCC2C(C)(C)O)nn1-c1cccc(F)c1
InChIInChI=1S/C18H23FN4O2/c1-12-10-16(21-23(12)14-7-4-6-13(19)11-14)20-17(24)22-9-5-8-15(22)18(2,3)25/h4,6-7,10-11,15,25H,5,8-9H2,1-3H3,(H,20,21,24)
InChIKeyWXSJMRVTDKCHQN-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.09
Rot. Bonds3

About N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide

N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 75448354) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
PubChem CID75448354
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC NameN-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCCC2C(C)(C)O)nn1-c1cccc(F)c1
InChIInChI=1S/C18H23FN4O2/c1-12-10-16(21-23(12)14-7-4-6-13(19)11-14)20-17(24)22-9-5-8-15(22)18(2,3)25/h4,6-7,10-11,15,25H,5,8-9H2,1-3H3,(H,20,21,24)
InChIKeyWXSJMRVTDKCHQN-UHFFFAOYSA-N
XLogP3.09
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide (CID 75448354) is N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide is Cc1cc(NC(=O)N2CCCC2C(C)(C)O)nn1-c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is WXSJMRVTDKCHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-12-10-16(21-23(12)14-7-4-6-13(19)11-14)20-17(24)22-9-5-8-15(22)18(2,3)25/h4,6-7,10-11,15,25H,5,8-9H2,1-3H3,(H,20,21,24).
What are the key properties of N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75448354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).