5-amino-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide

C15H22FN7O — CID 128972467

IUPAC5-amino-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1nccc1CN1C[C@@H](F)C[C@H]1CNC(=O)c1cnn(C)c1N
InChIInChI=1S/C15H22FN7O/c1-21-11(3-4-19-21)9-23-8-10(16)5-12(23)6-18-15(24)13-7-20-22(2)14(13)17/h3-4,7,10,12H,5-6,8-9,17H2,1-2H3,(H,18,24)/t10-,12-/m0/s1
InChIKeyUVZZATMYUVLUKD-JQWIXIFHSA-N
MW335.39 g/mol
LogP0.08
Rot. Bonds5

About 5-amino-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide

5-amino-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 128972467) has the molecular formula C15H22FN7O and a molecular weight of 335.39 g/mol. Its IUPAC name is 5-amino-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID128972467
Molecular FormulaC15H22FN7O
Molecular Weight335.39 g/mol
Exact Mass335.19
IUPAC Name5-amino-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1nccc1CN1C[C@@H](F)C[C@H]1CNC(=O)c1cnn(C)c1N
InChIInChI=1S/C15H22FN7O/c1-21-11(3-4-19-21)9-23-8-10(16)5-12(23)6-18-15(24)13-7-20-22(2)14(13)17/h3-4,7,10,12H,5-6,8-9,17H2,1-2H3,(H,18,24)/t10-,12-/m0/s1
InChIKeyUVZZATMYUVLUKD-JQWIXIFHSA-N
XLogP0.08
TPSA94.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide (CID 128972467) is 5-amino-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide is Cn1nccc1CN1C[C@@H](F)C[C@H]1CNC(=O)c1cnn(C)c1N.
What is the InChIKey of 5-amino-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is UVZZATMYUVLUKD-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H22FN7O/c1-21-11(3-4-19-21)9-23-8-10(16)5-12(23)6-18-15(24)13-7-20-22(2)14(13)17/h3-4,7,10,12H,5-6,8-9,17H2,1-2H3,(H,18,24)/t10-,12-/m0/s1.
What are the key properties of 5-amino-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide?
5-amino-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 128972467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).