N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxamide

C13H21FN4O2 — CID 126804752

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCCc1nn(C)cc1CNC(=O)N1CCC(F)(CO)C1
InChIInChI=1S/C13H21FN4O2/c1-3-11-10(7-17(2)16-11)6-15-12(20)18-5-4-13(14,8-18)9-19/h7,19H,3-6,8-9H2,1-2H3,(H,15,20)
InChIKeyRRPWETQHNFFDDR-UHFFFAOYSA-N
MW284.33 g/mol
LogP0.60
Rot. Bonds4

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxamide

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 126804752) has the molecular formula C13H21FN4O2 and a molecular weight of 284.33 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID126804752
Molecular FormulaC13H21FN4O2
Molecular Weight284.33 g/mol
Exact Mass284.16
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCCc1nn(C)cc1CNC(=O)N1CCC(F)(CO)C1
InChIInChI=1S/C13H21FN4O2/c1-3-11-10(7-17(2)16-11)6-15-12(20)18-5-4-13(14,8-18)9-19/h7,19H,3-6,8-9H2,1-2H3,(H,15,20)
InChIKeyRRPWETQHNFFDDR-UHFFFAOYSA-N
XLogP0.60
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 126804752) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxamide is CCc1nn(C)cc1CNC(=O)N1CCC(F)(CO)C1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is RRPWETQHNFFDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4O2/c1-3-11-10(7-17(2)16-11)6-15-12(20)18-5-4-13(14,8-18)9-19/h7,19H,3-6,8-9H2,1-2H3,(H,15,20).
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 284.33 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126804752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).