[(1S,2R,4R)-4-(3-amino-1H-pyrazol-5-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate

C13H19FN4O2 — CID 169142006

IUPAC[(1S,2R,4R)-4-(3-amino-1H-pyrazol-5-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@H]2C[C@@H](c3cc(N)n[nH]3)C[C@H]2F)CC1
InChIInChI=1S/C13H19FN4O2/c1-13(2-3-13)16-12(19)20-10-5-7(4-8(10)14)9-6-11(15)18-17-9/h6-8,10H,2-5H2,1H3,(H,16,19)(H3,15,17,18)/t7-,8+,10-/m0/s1
InChIKeyZCCRJCONYMXLLC-XKSSXDPKSA-N
MW282.32 g/mol
LogP1.85
Rot. Bonds3

About [(1S,2R,4R)-4-(3-amino-1H-pyrazol-5-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate

[(1S,2R,4R)-4-(3-amino-1H-pyrazol-5-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169142006) has the molecular formula C13H19FN4O2 and a molecular weight of 282.32 g/mol. Its IUPAC name is [(1S,2R,4R)-4-(3-amino-1H-pyrazol-5-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(1S,2R,4R)-4-(3-amino-1H-pyrazol-5-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID169142006
Molecular FormulaC13H19FN4O2
Molecular Weight282.32 g/mol
Exact Mass282.15
IUPAC Name[(1S,2R,4R)-4-(3-amino-1H-pyrazol-5-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@H]2C[C@@H](c3cc(N)n[nH]3)C[C@H]2F)CC1
InChIInChI=1S/C13H19FN4O2/c1-13(2-3-13)16-12(19)20-10-5-7(4-8(10)14)9-6-11(15)18-17-9/h6-8,10H,2-5H2,1H3,(H,16,19)(H3,15,17,18)/t7-,8+,10-/m0/s1
InChIKeyZCCRJCONYMXLLC-XKSSXDPKSA-N
XLogP1.85
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4R)-4-(3-amino-1H-pyrazol-5-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(1S,2R,4R)-4-(3-amino-1H-pyrazol-5-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 169142006) is [(1S,2R,4R)-4-(3-amino-1H-pyrazol-5-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(1S,2R,4R)-4-(3-amino-1H-pyrazol-5-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(1S,2R,4R)-4-(3-amino-1H-pyrazol-5-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate is CC1(NC(=O)O[C@H]2C[C@@H](c3cc(N)n[nH]3)C[C@H]2F)CC1.
What is the InChIKey of [(1S,2R,4R)-4-(3-amino-1H-pyrazol-5-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is ZCCRJCONYMXLLC-XKSSXDPKSA-N. The full InChI is InChI=1S/C13H19FN4O2/c1-13(2-3-13)16-12(19)20-10-5-7(4-8(10)14)9-6-11(15)18-17-9/h6-8,10H,2-5H2,1H3,(H,16,19)(H3,15,17,18)/t7-,8+,10-/m0/s1.
What are the key properties of [(1S,2R,4R)-4-(3-amino-1H-pyrazol-5-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate?
[(1S,2R,4R)-4-(3-amino-1H-pyrazol-5-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 282.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4R)-4-(3-amino-1H-pyrazol-5-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 169142006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).