N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide

C15H17FN4O2 — CID 75454407

IUPACN-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(O)C2)nn1-c1ccc(F)cc1
InChIInChI=1S/C15H17FN4O2/c1-10-8-14(17-15(22)19-7-6-13(21)9-19)18-20(10)12-4-2-11(16)3-5-12/h2-5,8,13,21H,6-7,9H2,1H3,(H,17,18,22)
InChIKeyXVJBVNSQVMJHGQ-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.92
Rot. Bonds2

About N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide

N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 75454407) has the molecular formula C15H17FN4O2 and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide
PubChem CID75454407
Molecular FormulaC15H17FN4O2
Molecular Weight304.32 g/mol
Exact Mass304.13
IUPAC NameN-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(O)C2)nn1-c1ccc(F)cc1
InChIInChI=1S/C15H17FN4O2/c1-10-8-14(17-15(22)19-7-6-13(21)9-19)18-20(10)12-4-2-11(16)3-5-12/h2-5,8,13,21H,6-7,9H2,1H3,(H,17,18,22)
InChIKeyXVJBVNSQVMJHGQ-UHFFFAOYSA-N
XLogP1.92
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide (CID 75454407) is N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide is Cc1cc(NC(=O)N2CCC(O)C2)nn1-c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is XVJBVNSQVMJHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-10-8-14(17-15(22)19-7-6-13(21)9-19)18-20(10)12-4-2-11(16)3-5-12/h2-5,8,13,21H,6-7,9H2,1H3,(H,17,18,22).
What are the key properties of N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide?
N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 75454407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).