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

C15H25FN4O2 — CID 154760057

IUPACpropan-2-yl N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate
SMILESCC(C)OC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C
InChIInChI=1S/C15H25FN4O2/c1-11(2)22-15(21)18(3)9-14-7-12(16)8-20(14)10-13-5-6-17-19(13)4/h5-6,11-12,14H,7-10H2,1-4H3/t12-,14-/m0/s1
InChIKeyHOLAKONATSTRMQ-JSGCOSHPSA-N
MW312.39 g/mol
LogP1.81
Rot. Bonds5

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

propan-2-yl N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate (PubChem CID 154760057) has the molecular formula C15H25FN4O2 and a molecular weight of 312.39 g/mol. Its IUPAC name is propan-2-yl N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate
PubChem CID154760057
Molecular FormulaC15H25FN4O2
Molecular Weight312.39 g/mol
Exact Mass312.20
IUPAC Namepropan-2-yl N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate
SMILESCC(C)OC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C
InChIInChI=1S/C15H25FN4O2/c1-11(2)22-15(21)18(3)9-14-7-12(16)8-20(14)10-13-5-6-17-19(13)4/h5-6,11-12,14H,7-10H2,1-4H3/t12-,14-/m0/s1
InChIKeyHOLAKONATSTRMQ-JSGCOSHPSA-N
XLogP1.81
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate?
The IUPAC name of propan-2-yl N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate (CID 154760057) is propan-2-yl N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for propan-2-yl N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate?
The canonical SMILES for propan-2-yl N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate is CC(C)OC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C.
What is the InChIKey of propan-2-yl N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate?
The InChIKey is HOLAKONATSTRMQ-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H25FN4O2/c1-11(2)22-15(21)18(3)9-14-7-12(16)8-20(14)10-13-5-6-17-19(13)4/h5-6,11-12,14H,7-10H2,1-4H3/t12-,14-/m0/s1.
What are the key properties of propan-2-yl N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate?
propan-2-yl N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate has a molecular weight of 312.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 154760057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).