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

C17H27FN4O2 — CID 169142633

IUPAC[(1S,2R,4R)-4-(5-amino-1-tert-butylpyrazol-3-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@H]2C[C@@H](c3cc(N)n(C(C)(C)C)n3)C[C@H]2F)CC1
InChIInChI=1S/C17H27FN4O2/c1-16(2,3)22-14(19)9-12(21-22)10-7-11(18)13(8-10)24-15(23)20-17(4)5-6-17/h9-11,13H,5-8,19H2,1-4H3,(H,20,23)/t10-,11+,13-/m0/s1
InChIKeyGACYVDFEEXAONO-LOWVWBTDSA-N
MW338.43 g/mol
LogP3.08
Rot. Bonds3

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

[(1S,2R,4R)-4-(5-amino-1-tert-butylpyrazol-3-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169142633) has the molecular formula C17H27FN4O2 and a molecular weight of 338.43 g/mol. Its IUPAC name is [(1S,2R,4R)-4-(5-amino-1-tert-butylpyrazol-3-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(1S,2R,4R)-4-(5-amino-1-tert-butylpyrazol-3-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID169142633
Molecular FormulaC17H27FN4O2
Molecular Weight338.43 g/mol
Exact Mass338.21
IUPAC Name[(1S,2R,4R)-4-(5-amino-1-tert-butylpyrazol-3-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@H]2C[C@@H](c3cc(N)n(C(C)(C)C)n3)C[C@H]2F)CC1
InChIInChI=1S/C17H27FN4O2/c1-16(2,3)22-14(19)9-12(21-22)10-7-11(18)13(8-10)24-15(23)20-17(4)5-6-17/h9-11,13H,5-8,19H2,1-4H3,(H,20,23)/t10-,11+,13-/m0/s1
InChIKeyGACYVDFEEXAONO-LOWVWBTDSA-N
XLogP3.08
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4R)-4-(5-amino-1-tert-butylpyrazol-3-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(1S,2R,4R)-4-(5-amino-1-tert-butylpyrazol-3-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 169142633) is [(1S,2R,4R)-4-(5-amino-1-tert-butylpyrazol-3-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(1S,2R,4R)-4-(5-amino-1-tert-butylpyrazol-3-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(1S,2R,4R)-4-(5-amino-1-tert-butylpyrazol-3-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate is CC1(NC(=O)O[C@H]2C[C@@H](c3cc(N)n(C(C)(C)C)n3)C[C@H]2F)CC1.
What is the InChIKey of [(1S,2R,4R)-4-(5-amino-1-tert-butylpyrazol-3-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is GACYVDFEEXAONO-LOWVWBTDSA-N. The full InChI is InChI=1S/C17H27FN4O2/c1-16(2,3)22-14(19)9-12(21-22)10-7-11(18)13(8-10)24-15(23)20-17(4)5-6-17/h9-11,13H,5-8,19H2,1-4H3,(H,20,23)/t10-,11+,13-/m0/s1.
What are the key properties of [(1S,2R,4R)-4-(5-amino-1-tert-butylpyrazol-3-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate?
[(1S,2R,4R)-4-(5-amino-1-tert-butylpyrazol-3-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 338.43 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4R)-4-(5-amino-1-tert-butylpyrazol-3-yl)-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 169142633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).