(2S,4R)-4-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide

C10H15FN4O — CID 155389198

IUPAC(2S,4R)-4-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide
SMILESCN1C[C@H](F)C[C@H]1C(=O)Nc1cnn(C)c1
InChIInChI=1S/C10H15FN4O/c1-14-5-7(11)3-9(14)10(16)13-8-4-12-15(2)6-8/h4,6-7,9H,3,5H2,1-2H3,(H,13,16)/t7-,9+/m1/s1
InChIKeyFPKXQUUOXZFUAA-APPZFPTMSA-N
MW226.25 g/mol
LogP0.40
Rot. Bonds2

About (2S,4R)-4-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide (PubChem CID 155389198) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide
PubChem CID155389198
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name(2S,4R)-4-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide
SMILESCN1C[C@H](F)C[C@H]1C(=O)Nc1cnn(C)c1
InChIInChI=1S/C10H15FN4O/c1-14-5-7(11)3-9(14)10(16)13-8-4-12-15(2)6-8/h4,6-7,9H,3,5H2,1-2H3,(H,13,16)/t7-,9+/m1/s1
InChIKeyFPKXQUUOXZFUAA-APPZFPTMSA-N
XLogP0.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide (CID 155389198) is (2S,4R)-4-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide is CN1C[C@H](F)C[C@H]1C(=O)Nc1cnn(C)c1.
What is the InChIKey of (2S,4R)-4-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is FPKXQUUOXZFUAA-APPZFPTMSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-14-5-7(11)3-9(14)10(16)13-8-4-12-15(2)6-8/h4,6-7,9H,3,5H2,1-2H3,(H,13,16)/t7-,9+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 226.25 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-1-methyl-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 155389198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).