[(1S,3R)-3-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate

C17H24N6O3 — CID 154616406

IUPAC[(1S,3R)-3-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
SMILESCCCNC(=O)O[C@H]1CC[C@@H](c2cc(NC(=O)c3ccnn3C)n[nH]2)C1
InChIInChI=1S/C17H24N6O3/c1-3-7-18-17(25)26-12-5-4-11(9-12)13-10-15(22-21-13)20-16(24)14-6-8-19-23(14)2/h6,8,10-12H,3-5,7,9H2,1-2H3,(H,18,25)(H2,20,21,22,24)/t11-,12+/m1/s1
InChIKeyVKBNQDMLYLEBSE-NEPJUHHUSA-N
MW360.42 g/mol
LogP2.17
Rot. Bonds6

About [(1S,3R)-3-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate

[(1S,3R)-3-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate (PubChem CID 154616406) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is [(1S,3R)-3-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate.

Molecular Properties

Compound Name[(1S,3R)-3-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
PubChem CID154616406
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name[(1S,3R)-3-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
SMILESCCCNC(=O)O[C@H]1CC[C@@H](c2cc(NC(=O)c3ccnn3C)n[nH]2)C1
InChIInChI=1S/C17H24N6O3/c1-3-7-18-17(25)26-12-5-4-11(9-12)13-10-15(22-21-13)20-16(24)14-6-8-19-23(14)2/h6,8,10-12H,3-5,7,9H2,1-2H3,(H,18,25)(H2,20,21,22,24)/t11-,12+/m1/s1
InChIKeyVKBNQDMLYLEBSE-NEPJUHHUSA-N
XLogP2.17
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
The IUPAC name of [(1S,3R)-3-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate (CID 154616406) is [(1S,3R)-3-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate.
What is the SMILES notation for [(1S,3R)-3-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
The canonical SMILES for [(1S,3R)-3-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate is CCCNC(=O)O[C@H]1CC[C@@H](c2cc(NC(=O)c3ccnn3C)n[nH]2)C1.
What is the InChIKey of [(1S,3R)-3-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
The InChIKey is VKBNQDMLYLEBSE-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-3-7-18-17(25)26-12-5-4-11(9-12)13-10-15(22-21-13)20-16(24)14-6-8-19-23(14)2/h6,8,10-12H,3-5,7,9H2,1-2H3,(H,18,25)(H2,20,21,22,24)/t11-,12+/m1/s1.
What are the key properties of [(1S,3R)-3-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
[(1S,3R)-3-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate has a molecular weight of 360.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate is sourced from PubChem (CID 154616406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).