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

C17H23FN4O2 — CID 128966832

IUPACN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,2-dimethylfuran-3-carboxamide
SMILESCc1occc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C
InChIInChI=1S/C17H23FN4O2/c1-12-16(5-7-24-12)17(23)20(2)10-15-8-13(18)9-22(15)11-14-4-6-19-21(14)3/h4-7,13,15H,8-11H2,1-3H3/t13-,15-/m0/s1
InChIKeyFJHGTXBHWXMQGT-ZFWWWQNUSA-N
MW334.40 g/mol
LogP2.01
Rot. Bonds5

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

N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,2-dimethylfuran-3-carboxamide (PubChem CID 128966832) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,2-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,2-dimethylfuran-3-carboxamide
PubChem CID128966832
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,2-dimethylfuran-3-carboxamide
SMILESCc1occc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C
InChIInChI=1S/C17H23FN4O2/c1-12-16(5-7-24-12)17(23)20(2)10-15-8-13(18)9-22(15)11-14-4-6-19-21(14)3/h4-7,13,15H,8-11H2,1-3H3/t13-,15-/m0/s1
InChIKeyFJHGTXBHWXMQGT-ZFWWWQNUSA-N
XLogP2.01
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,2-dimethylfuran-3-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,2-dimethylfuran-3-carboxamide (CID 128966832) is N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,2-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,2-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,2-dimethylfuran-3-carboxamide is Cc1occc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,2-dimethylfuran-3-carboxamide?
The InChIKey is FJHGTXBHWXMQGT-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-12-16(5-7-24-12)17(23)20(2)10-15-8-13(18)9-22(15)11-14-4-6-19-21(14)3/h4-7,13,15H,8-11H2,1-3H3/t13-,15-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,2-dimethylfuran-3-carboxamide?
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,2-dimethylfuran-3-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,2-dimethylfuran-3-carboxamide is sourced from PubChem (CID 128966832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).